CID 31297

Methanesulfonyl chloride

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)Cl

InChI

InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3

InChIKey

QARBMVPHQWIHKH-UHFFFAOYSA-N

Compound name

methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 82
References: 12144
Patents: 113.95423 Da
Monoisotopic Mass: 0.4
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]+	114.961506	112.8
[M+Na]+	136.943448	123.6
[M-H]-	112.946954	114.5
[M+NH4]+	131.988053	137.0
[M+K]+	152.917388	121.7
[M+H-H2O]+	96.951490	110.5
[M+HCOO]-	158.952431	127.5
[M+CH3COO]-	172.968081	162.5
[M+Na-2H]-	134.928896	119.0
[M]+	113.95368142	116.8
[M]-	113.95477858	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe