1,4-DIBROMO-2-FLUOROBENZENE(1435-52-5) MS

Product Name1,4-DIBROMO-2-FLUOROBENZENE

CAS 1435-52-5

Molecular FormulaC6H3Br2F

Molecular Weight253.89

InChIInChI=1S/C6H3Br2F/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey WNSNPGHNIJOOPM-UHFFFAOYSA-N

SmilesC1(Br)=CC=C(Br)C=C1F

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1,4-DIBROMO-2-FLUOROBENZENE(1435-52-5) MS
Mass

MS-IW-4910          
1,4-dibromo-2-fluorobenzene
C6H3Br2F            (Mass of molecular ion:    252)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.4
      37.0       2.5
      38.0       1.5
      47.0       1.7
      49.0       1.4
      50.0       6.9
      56.0       1.1
      61.0       3.3
      62.0       2.6
      63.0       1.8
      68.0       7.4
      73.0       2.4
      74.0       9.3
      75.0       3.4
      79.0       1.0
      80.0       1.1
      81.0       1.0
      82.0       1.1
      86.0       2.0
      86.5       1.0
      87.0       2.0
      92.0       3.7
      93.0       9.9
      94.0      34.7
      95.0       2.2
     126.0       3.1
     127.0       5.9
     128.0       3.4
     172.0       1.1
     173.0      31.3
     174.0       3.1
     175.0      30.5
     176.0       2.0
     252.0      51.1
     253.0       3.5
     254.0     100.0
     255.0       6.7
     256.0      48.7
     257.0       3.2

400 MHz in CDCl3

1,4-DIBROMO-2-FLUOROBENZENE(1435-52-5) MS

¹H NMR	399.65 MHz
C₆ H₃ Br₂ F	0.042 g : 0.5 ml CDCl₃
1,4-dibromo-2-fluorobenzene

    Assign.     Shift(ppm)

      A             7.413
      B             7.295
      C             7.177
     
     J(A,C)=8.4HZ
     J(B,C)=2.2HZ
     J(A,F-19)=7.3HZ
     J(B,F-19)=8.0HZ
     J(C,F-19)=1.1HZ

     Hz     ppm     Int.

   2970.83   7.434    821
   2968.75   7.429     32
   2963.50   7.416    934
   2962.40   7.413   1000
   2960.21   7.408     38
   2955.08   7.395    981
   2920.78   7.309    913
   2918.58   7.303    953
   2912.72   7.289    905
   2910.52   7.283    960
   2907.47   7.276     37
   2873.90   7.192    692
   2872.80   7.189    703
   2871.70   7.186    630
   2870.61   7.183    578
   2868.77   7.179     45
   2865.36   7.170    598
   2864.26   7.167    608
   2863.16   7.165    546
   2862.06   7.162    502

in CDCl3