2-溴-4-氟苯甲醚(452-08-4)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴-4-氟苯甲醚

CAS:452-08-4

分子式:C7H6BrFO

分子量: 205.02

InChI:InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

InChIKey: JIQXVIJARQLCOY-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(F)C=C1Br

Mass

MS-IW-9270          
2-bromo-4-fluoroanisole
C7H6BrFO            (Mass of molecular ion:    204)

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

      15.0       1.3
      28.0       2.9
      29.0       1.1
      31.0       4.5
      37.0       1.8
      38.0       1.8
      50.0       6.2
      51.0       2.1
      53.0       1.8
      55.0       1.8
      56.0       4.7
      57.0       6.3
      61.0       3.6
      62.0       3.8
      63.0       6.7
      68.0       3.4
      69.0       1.7
      73.0       1.1
      74.0       4.1
      75.0       9.1
      80.0       1.6
      81.0      13.4
      82.0      14.2
      83.0       2.4
      92.0       1.0
      93.0       3.3
      94.0      13.4
      95.0      10.8
      96.0       3.4
      97.0       2.2
     110.0      10.2
     111.0       4.4
     113.0       2.4
     125.0       1.0
     126.0       2.4
     135.0       2.0
     137.0       2.1
     161.0      44.4
     162.0       2.9
     163.0      43.8
     164.0       2.3
     173.0       2.7
     175.0       3.0
     189.0      60.1
     190.0       4.5
     191.0      58.6
     192.0       4.0
     204.0     100.0
     205.0       8.0
     206.0      97.4
     207.0       7.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br F O	0.05 ml : 0.5 ml CDCl₃
2-bromo-4-fluoroanisole

    Assign.     Shift(ppm)

      A             7.275
      B             6.966
      C             6.810
      D             3.837

     Hz     ppm     Int.

   2912.96   7.289    167
   2909.91   7.282    178
   2905.15   7.270    173
   2902.10   7.262    177
   2794.31   6.992     96
   2791.26   6.985     92
   2786.50   6.973    107
   2785.28   6.970    123
   2783.45   6.965    100
   2782.23   6.962    119
   2777.47   6.950    122
   2774.41   6.943    117
   2728.03   6.827    142
   2723.27   6.815    144
   2718.87   6.804    109
   2714.23   6.792    109
   1533.94   3.839   1000

in CDCl3