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]+ 388.98152 178.3
[M+Na]+ 410.96346 179.5
[M-H]- 386.96696 177.6
[M+NH4]+ 406.00806 189.0
[M+K]+ 426.93740 180.2
[M+H-H2O]+ 370.97150 167.0
[M+HCOO]- 432.97244 192.6
[M+CH3COO]- 446.98809 208.7
[M+Na-2H]- 408.94891 169.4
[M]+ 387.97369 175.8
[M]- 387.97479 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.