CID 12410822

Bromomethanesulfonyl chloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/CH2BrClO2S/c2-1-6(3,4)5/h1H2

InChIKey

FXHWCQPYCGWOAW-UHFFFAOYSA-N

Compound name

bromomethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 191.86475 Da
Monoisotopic Mass: 1.2
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]+	192.87203	115.8
[M+Na]+	214.85397	130.7
[M-H]-	190.85747	120.4
[M+NH4]+	209.89857	140.6
[M+K]+	230.82791	118.6
[M+H-H2O]+	174.86201	118.9
[M+HCOO]-	236.86295	128.8
[M+CH3COO]-	250.87860	173.7
[M+Na-2H]-	212.83942	124.2
[M]+	191.86420	138.1
[M]-	191.86530	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe