CID 118435687

1818868-52-8

Structural Information

Molecular Formula

C₇H₁₃BrO₂S

SMILES

C1CS(=O)(=O)CCC1CCBr

InChI

InChI=1S/C7H13BrO2S/c8-4-1-7-2-5-11(9,10)6-3-7/h7H,1-6H2

InChIKey

ZDDVGCKHSDOUNS-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)thiane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 239.98196 Da
Monoisotopic Mass: 1.5
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]+	240.98924	132.9
[M+Na]+	262.97118	143.9
[M-H]-	238.97468	139.1
[M+NH4]+	258.01578	156.7
[M+K]+	278.94512	133.1
[M+H-H2O]+	222.97922	134.8
[M+HCOO]-	284.98016	147.4
[M+CH3COO]-	298.99581	183.9
[M+Na-2H]-	260.95663	138.8
[M]+	239.98141	151.2
[M]-	239.98251	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe