CID 137952189

2219379-89-0

Structural Information

Molecular Formula

C₅H₉BrO₂S

SMILES

CC1(CS(=O)(=O)C1)CBr

InChI

InChI=1S/C5H9BrO2S/c1-5(2-6)3-9(7,8)4-5/h2-4H2,1H3

InChIKey

XAEIZYHESITMPV-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-3-methylthietane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.95065 Da
Monoisotopic Mass: 0.8
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]+	212.95793	123.0
[M+Na]+	234.93987	121.0
[M+NH4]+	229.98447	127.0
[M+K]+	250.91381	119.8
[M-H]-	210.94337	120.2
[M+Na-2H]-	232.92532	125.9
[M]+	211.95010	120.4
[M]-	211.95120	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.