CID 5013291

3-amino-n-(2-iodo-5-methylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13IN2O2S
SMILES
CC1=CC(=C(C=C1)I)NS(=O)(=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C13H13IN2O2S/c1-9-5-6-12(14)13(7-9)16-19(17,18)11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3
InChIKey
CTPGAHDPLNPBSK-UHFFFAOYSA-N
Compound name
3-amino-N-(2-iodo-5-methylphenyl)benzenesulfonamide
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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.