CID 69938

812-01-1

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: 746
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	115.8
[M+Na]+	152.93836	126.5
[M-H]-	128.94186	117.5
[M+NH4]+	147.98296	139.3
[M+K]+	168.91230	125.0
[M+H-H2O]+	112.94640	113.3
[M+HCOO]-	174.94734	130.8
[M+CH3COO]-	188.96299	164.4
[M+Na-2H]-	150.92381	122.2
[M]+	129.94859	121.3
[M]-	129.94969	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe