CID 139022481

2344679-21-4

Structural Information

Molecular Formula

C₅H₉BrO₃S

SMILES

CC(C)OS(=O)(=O)C(=C)Br

InChI

InChI=1S/C5H9BrO3S/c1-4(2)9-10(7,8)5(3)6/h4H,3H2,1-2H3

InChIKey

ZEJPKFWVDMRISF-UHFFFAOYSA-N

Compound name

propan-2-yl 1-bromoethenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.94559 Da
Monoisotopic Mass: 1.8
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]+	228.95287	128.3
[M+Na]+	250.93481	128.3
[M+NH4]+	245.97941	131.7
[M+K]+	266.90875	130.2
[M-H]-	226.93831	124.9
[M+Na-2H]-	248.92026	128.4
[M]+	227.94504	126.3
[M]-	227.94614	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.