349-88-2

4-氟苯磺酰氯(349-88-2)质谱(MS)

产品名称:4-氟苯磺酰氯

CAS:349-88-2

分子式:C6H4ClFO2S

分子量: 194.61

InChI:InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H

InChIKey: BFXHJFKKRGVUMU-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC=C(F)C=C1

Mass

MS-NW-6621          
p-fluorobenzenesulfonyl chloride
C6H4ClFO2S          (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       3.2
      28.0      10.5
      31.0       1.3
      32.0       1.9
      36.0       1.8
      37.0       1.2
      38.0       1.1
      39.0       1.3
      45.0       1.1
      48.0       2.3
      50.0       7.0
      51.0       3.9
      57.0       3.6
      61.0       1.1
      62.0       1.4
      63.0       1.7
      64.0       3.6
      65.0       1.0
      68.0       3.0
      69.0       6.3
      74.0       4.5
      75.0      24.3
      76.0       2.3
      83.0       4.6
      84.0       1.0
      93.0       1.3
      94.0       3.4
      95.0     100.0
      96.0       8.6
     108.0       1.0
     111.0       1.4
     115.0       1.3
     127.0       2.3
     128.0       2.7
     130.0       1.3
     143.0       3.0
     159.0      67.4
     160.0       5.4
     161.0       3.5
     194.0      11.2
     196.0       4.3
     222.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Cl F O₂ S	0.046 g : 0.5 ml CDCl₃
p-fluorobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             8.082
      B             7.303
     
     J(A,B)=9.2 Hz. 
     J(A,F-19)=4.8 Hz. 
     J(B, F-19)=8.0 Hz.

     Hz     ppm     Int.

    734.50   8.202     78
    731.50   8.168    728
    729.31   8.144    271
    726.69   8.115    769
    724.50   8.090    481
    723.56   8.080     89
    722.31   8.066   1000
    719.75   8.037    304
    717.50   8.012    969
    714.50   7.978    132
    665.56   7.432    113
    662.56   7.398    961
    660.31   7.373    283
    659.19   7.361     51
    657.56   7.343    124
    655.56   7.320    260
    654.56   7.309    975
    653.38   7.296    826
    652.31   7.284    333
    651.25   7.272     83
    650.44   7.263    431
    647.56   7.231    246
    645.38   7.207    779
    643.81   7.189     55
    643.13   7.181     51
    642.38   7.173     97

in CDCl3