CID 11218181

N-(3-bromopropyl)methanesulfonamide

Structural Information

Molecular Formula

C₄H₁₀BrNO₂S

SMILES

CS(=O)(=O)NCCCBr

InChI

InChI=1S/C4H10BrNO2S/c1-9(7,8)6-4-2-3-5/h6H,2-4H2,1H3

InChIKey

JSGCXSUGKXLXDV-UHFFFAOYSA-N

Compound name

N-(3-bromopropyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 214.96156 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]+	215.96884	128.5
[M+Na]+	237.95078	140.2
[M-H]-	213.95428	132.0
[M+NH4]+	232.99538	151.0
[M+K]+	253.92472	128.8
[M+H-H2O]+	197.95882	128.8
[M+HCOO]-	259.95976	145.5
[M+CH3COO]-	273.97541	182.9
[M+Na-2H]-	235.93623	135.8
[M]+	214.96101	149.4
[M]-	214.96211	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe