CID 21699831

10116-74-2

Structural Information

Molecular Formula

C₆H₄ClFO₂S

SMILES

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

InChI

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

InChIKey

SVUFZCYVNYUZBS-UHFFFAOYSA-N

Compound name

3-chlorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 193.96045 Da
Monoisotopic Mass: 2.5
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