CID 12818

4-bromo-n,n-dimethylbenzenesulfonamide

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

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

InChI

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

InChIKey

NQAUNPZZVCXYEJ-UHFFFAOYSA-N

Compound name

4-bromo-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 342
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	134.6
[M+Na]+	285.95077	137.0
[M+NH4]+	280.99537	139.4
[M+K]+	301.92471	137.1
[M-H]-	261.95427	135.2
[M+Na-2H]-	283.93622	138.8
[M]+	262.96100	134.3
[M]-	262.96210	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe