CID 247908

6965-75-9

Structural Information

Molecular Formula

C₁₂H₁₁IN₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C12H11IN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2

InChIKey

GNYYVWOTRVNKCO-UHFFFAOYSA-N

Compound name

4-amino-N-(4-iodophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 373.9586 Da
Monoisotopic Mass: 2.4
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]+	374.96588	174.5
[M+Na]+	396.94782	178.6
[M+NH4]+	391.99242	177.8
[M+K]+	412.92176	173.7
[M-H]-	372.95132	172.4
[M+Na-2H]-	394.93327	169.4
[M]+	373.95805	173.8
[M]-	373.95915	173.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.