CID 3388856

5-amino-n-(4-iodophenyl)-2-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₃H₁₃IN₂O₂S

SMILES

CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C13H13IN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3

InChIKey

OFXIXSNOPUZXRP-UHFFFAOYSA-N

Compound name

5-amino-N-(4-iodophenyl)-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 387.97424 Da
Monoisotopic Mass: 2.8
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]+	388.981516	178.3
[M+Na]+	410.963458	179.5
[M-H]-	386.966964	177.6
[M+NH4]+	406.008063	189.0
[M+K]+	426.937398	180.2
[M+H-H2O]+	370.971500	167.0
[M+HCOO]-	432.972441	192.6
[M+CH3COO]-	446.988091	208.7
[M+Na-2H]-	408.948906	169.4
[M]+	387.97369142	175.8
[M]-	387.97478858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.