CID 4961927

100142-87-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)N

InChI

InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)

InChIKey

OFWFFDCOBHXZME-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 26
Patents: 248.06195 Da
Monoisotopic Mass: 1.0
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]+	249.06923	152.9
[M+Na]+	271.05117	164.9
[M+NH4]+	266.09577	160.8
[M+K]+	287.02511	157.4
[M-H]-	247.05467	157.3
[M+Na-2H]-	269.03662	161.2
[M]+	248.06140	156.2
[M]-	248.06250	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe