CID 190026

Methanesulfonyl bromide

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)Br

InChI

InChI=1S/CH3BrO2S/c1-5(2,3)4/h1H3

InChIKey

ITYJDNHFRZSTJY-UHFFFAOYSA-N

Compound name

methanesulfonyl bromide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1207
Patents: 157.90372 Da
Monoisotopic Mass: 0.6
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]+	158.91100	111.2
[M+Na]+	180.89294	125.2
[M-H]-	156.89644	115.7
[M+NH4]+	175.93754	136.4
[M+K]+	196.86688	115.2
[M+H-H2O]+	140.90098	113.3
[M+HCOO]-	202.90192	128.5
[M+CH3COO]-	216.91757	170.0
[M+Na-2H]-	178.87839	119.8
[M]+	157.90317	132.1
[M]-	157.90427	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe