CID 43620015

1157050-15-1

Structural Information

Molecular Formula

C₅H₁₀BrNO₂S

SMILES

C1CN(S(=O)(=O)C1)CCBr

InChI

InChI=1S/C5H10BrNO2S/c6-2-4-7-3-1-5-10(7,8)9/h1-5H2

InChIKey

HBTCMPVZDRHOAM-UHFFFAOYSA-N

Compound name

2-(2-bromoethyl)-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 226.96156 Da
Monoisotopic Mass: 0.4
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]+	227.96884	129.4
[M+Na]+	249.95078	142.8
[M-H]-	225.95428	135.1
[M+NH4]+	244.99538	154.4
[M+K]+	265.92472	132.5
[M+H-H2O]+	209.95882	131.3
[M+HCOO]-	271.95976	145.7
[M+CH3COO]-	285.97541	180.4
[M+Na-2H]-	247.93623	135.0
[M]+	226.96101	149.7
[M]-	226.96211	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe