CID 77956

2-(phenylsulfonyl)aniline

Structural Information

Molecular Formula

C₁₂H₁₁NO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N

InChI

InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2

InChIKey

JBCUKQQIWSWEOK-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1286
Patents: 233.05106 Da
Monoisotopic Mass: 2.2
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]+	234.05834	149.0
[M+Na]+	256.04028	162.4
[M+NH4]+	251.08488	157.7
[M+K]+	272.01422	154.0
[M-H]-	232.04378	153.4
[M+Na-2H]-	254.02573	158.3
[M]+	233.05051	152.7
[M]-	233.05161	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe