CID 69938

Methyl chlorosulfonate

Structural Information

Molecular Formula

SMILES

COS(=O)(=O)Cl

InChI

InChI=1S/CH3ClO3S/c1-5-6(2,3)4/h1H3

InChIKey

KNVLCWQKYHCADB-UHFFFAOYSA-N

Compound name

chlorosulfonyloxymethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 393
Patents: 129.94914 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]+	130.95642	120.4
[M+Na]+	152.93836	131.4
[M+NH4]+	147.98296	128.6
[M+K]+	168.91230	125.3
[M-H]-	128.94186	118.8
[M+Na-2H]-	150.92381	124.0
[M]+	129.94859	122.1
[M]-	129.94969	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe