CID 74296

Benzenesulfonanilide

Structural Information

Molecular Formula

C₁₂H₁₁NO₂S

SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H

InChIKey

XAUGWFWQVYXATQ-UHFFFAOYSA-N

Compound name

N-phenylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 2377
Patents: 233.05106 Da
Monoisotopic Mass: 2.6
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]+	234.058336	148.4
[M+Na]+	256.040278	156.2
[M-H]-	232.043784	155.3
[M+NH4]+	251.084883	166.0
[M+K]+	272.014218	151.9
[M+H-H2O]+	216.048320	141.4
[M+HCOO]-	278.049261	168.6
[M+CH3COO]-	292.064911	187.5
[M+Na-2H]-	254.025726	155.6
[M]+	233.05051142	149.2
[M]-	233.05160858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe