CID 10977482

Bromomethanesulfonyl bromide

Structural Information

Molecular Formula

CH₂Br₂O₂S

SMILES

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

InChI

InChI=1S/CH2Br2O2S/c2-1-6(3,4)5/h1H2

InChIKey

ZUQDPSRFJGYOPL-UHFFFAOYSA-N

Compound name

bromomethanesulfonyl bromide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 235.81422 Da
Monoisotopic Mass: 1.4
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]+	236.82150	111.9
[M+Na]+	258.80344	125.3
[M-H]-	234.80694	117.2
[M+NH4]+	253.84804	133.8
[M+K]+	274.77738	109.7
[M+H-H2O]+	218.81148	121.2
[M+HCOO]-	280.81242	124.9
[M+CH3COO]-	294.82807	190.3
[M+Na-2H]-	256.78889	121.0
[M]+	235.81367	147.6
[M]-	235.81477	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe