CID 421949

Sodium bromomethanesulfonate

Structural Information

Molecular Formula

SMILES

C(S(=O)(=O)O)Br

InChI

InChI=1S/CH3BrO3S/c2-1-6(3,4)5/h1H2,(H,3,4,5)

InChIKey

MGWVXCJVOQWUQG-UHFFFAOYSA-N

Compound name

bromomethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 345
Patents: 173.89864 Da
Monoisotopic Mass: 0.0
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]+	174.90592	115.2
[M+Na]+	196.88786	128.5
[M-H]-	172.89136	118.1
[M+NH4]+	191.93246	138.9
[M+K]+	212.86180	117.8
[M+H-H2O]+	156.89590	117.0
[M+HCOO]-	218.89684	131.2
[M+CH3COO]-	232.91249	169.4
[M+Na-2H]-	194.87331	123.3
[M]+	173.89809	135.5
[M]-	173.89919	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe