CID 2734258

3-fluorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClFO2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H
InChIKey
OKYSUJVCDXZGKE-UHFFFAOYSA-N
Compound name
3-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2563
Patents

193.96045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.967726 130.0
[M+Na]+ 216.949668 141.3
[M-H]- 192.953174 133.5
[M+NH4]+ 211.994273 151.1
[M+K]+ 232.923608 137.0
[M+H-H2O]+ 176.957710 125.3
[M+HCOO]- 238.958651 144.0
[M+CH3COO]- 252.974301 176.5
[M+Na-2H]- 214.935116 135.4
[M]+ 193.95990142 133.1
[M]- 193.96099858 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe