CID 12509237

1-bromo-1-methanesulfonylethene

Structural Information

Molecular Formula

C₃H₅BrO₂S

SMILES

CS(=O)(=O)C(=C)Br

InChI

InChI=1S/C3H5BrO2S/c1-3(4)7(2,5)6/h1H2,2H3

InChIKey

BSTQPTBGKBZMQT-UHFFFAOYSA-N

Compound name

1-bromo-1-methylsulfonylethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 183.91936 Da
Monoisotopic Mass: 1.0
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]+	184.92664	118.9
[M+Na]+	206.90858	132.1
[M-H]-	182.91208	123.1
[M+NH4]+	201.95318	142.9
[M+K]+	222.88252	121.4
[M+H-H2O]+	166.91662	120.6
[M+HCOO]-	228.91756	134.7
[M+CH3COO]-	242.93321	175.5
[M+Na-2H]-	204.89403	125.5
[M]+	183.91881	139.2
[M]-	183.91991	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe