CID 275288

N-(2-bromoethyl)benzenesulfonamide

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCBr

InChI

InChI=1S/C8H10BrNO2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2

InChIKey

HKSWKYUFZYFBQF-UHFFFAOYSA-N

Compound name

N-(2-bromoethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 262.96155 Da
Monoisotopic Mass: 1.6
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]+	263.96883	137.0
[M+Na]+	285.95077	138.9
[M+NH4]+	280.99537	141.6
[M+K]+	301.92471	138.2
[M-H]-	261.95427	137.2
[M+Na-2H]-	283.93622	140.9
[M]+	262.96100	136.4
[M]-	262.96210	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe