CID 7129845

153435-80-4

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

CN(C)S(=O)(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3

InChIKey

RHBJVOGENJVLGT-UHFFFAOYSA-N

Compound name

3-bromo-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 170
Patents: 262.96155 Da
Monoisotopic Mass: 2.0
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	138.3
[M+Na]+	285.95077	150.6
[M-H]-	261.95427	146.5
[M+NH4]+	280.99537	159.7
[M+K]+	301.92471	139.8
[M+H-H2O]+	245.95881	138.2
[M+HCOO]-	307.95975	156.3
[M+CH3COO]-	321.97540	194.0
[M+Na-2H]-	283.93622	145.3
[M]+	262.96100	160.2
[M]-	262.96210	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe