3,5-雙三氟甲基苯甲酰胺(22227-26-5)質(zhì)譜(MS)

產(chǎn)品名稱:3,5-雙三氟甲基苯甲酰胺

CAS:22227-26-5

分子式:C9H5F6NO

分子量: 257.13

InChI:InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)

InChIKey: YNOPIKHMZIOWHS-UHFFFAOYSA-N

Smiles:C(N)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

Mass

MS-IW-9454          
3,5-bis(trifluoromethyl)benzamide
C9H5F6NO            (Mass of molecular ion:    257)

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

      18.0       2.6
      28.0       2.9
      31.0       1.3
      44.0      19.3
      50.0       2.6
      51.0       1.4
      57.0       1.5
      69.0       5.8
      74.0       4.0
      75.0       9.8
      87.0       1.0
      93.0       1.7
      94.0       1.8
      95.0       1.1
      97.0       1.6
      99.0       3.0
     111.0       1.4
     113.0       1.5
     123.0       1.4
     125.0       3.9
     143.0       9.0
     144.0       8.5
     145.0       2.8
     162.0       2.3
     163.0      16.9
     164.0       1.9
     170.0       4.3
     188.0       1.1
     189.0       1.7
     190.0       1.2
     193.0       3.5
     194.0       5.7
     195.0       1.5
     212.0       1.3
     213.0      73.2
     214.0       6.9
     220.0       3.4
     238.0      20.0
     239.0       7.3
     240.0       1.8
     241.0     100.0
     242.0       9.9
     257.0      40.7
     258.0       4.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₅ F₆ N O	0.039 g : 0.5 ml DMSO-d₆
3,5-bis(trifluoromethyl)benzamide

    Assign.     Shift(ppm)

      A             8.566
      B     *1      8.52
      C             8.302
      D     *1      7.93

     Hz     ppm     Int.

   3433.72   8.592     23
   3423.95   8.568    992
   3423.46   8.567   1000
   3406.74   8.525    222
   3317.87   8.302    454
   3167.72   7.927    224

in DMSO-d6