CID 12817185

80729-59-5

Structural Information

Molecular Formula

C₄H₇BrO₂S

SMILES

CS(=O)(=O)/C=C/CBr

InChI

InChI=1S/C4H7BrO2S/c1-8(6,7)4-2-3-5/h2,4H,3H2,1H3/b4-2+

InChIKey

OVAXXBFZRNVDJL-DUXPYHPUSA-N

Compound name

(E)-3-bromo-1-methylsulfonylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.93501 Da
Monoisotopic Mass: 0.5
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]+	198.94229	123.8
[M+Na]+	220.92423	125.1
[M+NH4]+	215.96883	128.1
[M+K]+	236.89817	125.1
[M-H]-	196.92773	121.3
[M+Na-2H]-	218.90968	124.9
[M]+	197.93446	122.3
[M]-	197.93556	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.