4-Fluorobenzenesulfonyl chloride(349-88-2) MS
Product Name4-Fluorobenzenesulfonyl chloride
CAS349-88-2
Molecular FormulaC6H4ClFO2S
Molecular Weight194.61
InChIInChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChIKey BFXHJFKKRGVUMU-UHFFFAOYSA-N
SmilesC1(S(Cl)(=O)=O)=CC=C(F)C=C1
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MassMS-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
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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
KBr disc
nujol mull
