CID 8468070

4-bromo-n,3-dimethylbenzenesulfonamide

Structural Information

Molecular Formula

C₈H₁₀BrNO₂S

SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC)Br

InChI

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

InChIKey

VKXILHHKRMMVQB-UHFFFAOYSA-N

Compound name

4-bromo-N,3-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 262.96155 Da
Monoisotopic Mass: 1.9
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	136.7
[M+Na]+	285.95077	139.3
[M+NH4]+	280.99537	141.3
[M+K]+	301.92471	139.0
[M-H]-	261.95427	137.0
[M+Na-2H]-	283.93622	140.3
[M]+	262.96100	136.4
[M]-	262.96210	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe