CID 131565511

2091872-40-9

Structural Information

Molecular Formula

C₅H₉BrO₂S

SMILES

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

InChI

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

InChIKey

TWHKTCPOKAZDSI-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-1-methylsulfonylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 211.95065 Da
Monoisotopic Mass: 0.7
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	127.7
[M+Na]+	234.93987	142.0
[M-H]-	210.94337	135.5
[M+NH4]+	229.98447	147.9
[M+K]+	250.91381	131.5
[M+H-H2O]+	194.94791	129.4
[M+HCOO]-	256.94885	143.9
[M+CH3COO]-	270.96450	182.8
[M+Na-2H]-	232.92532	136.1
[M]+	211.95010	150.8
[M]-	211.95120	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe