CID 9588

4-fluorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₄ClFO₂S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)Cl

InChI

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

InChIKey

BFXHJFKKRGVUMU-UHFFFAOYSA-N

Compound name

4-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 7425
Patents: 193.96045 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.96773	134.3
[M+Na]+	216.94967	147.1
[M+NH4]+	211.99427	142.8
[M+K]+	232.92361	139.2
[M-H]-	192.95317	134.4
[M+Na-2H]-	214.93512	140.6
[M]+	193.95990	136.9
[M]-	193.96100	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe