CID 3865145

3-amino-n-(4-iodophenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H11IN2O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)I)N
InChI
InChI=1S/C12H11IN2O2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H,14H2
InChIKey
WWRSQRZMEAYPDH-UHFFFAOYSA-N
Compound name
3-amino-N-(4-iodophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9586 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.96588 174.2
[M+Na]+ 396.94782 175.0
[M-H]- 372.95132 173.3
[M+NH4]+ 391.99242 185.2
[M+K]+ 412.92176 175.9
[M+H-H2O]+ 356.95586 162.9
[M+HCOO]- 418.95680 188.8
[M+CH3COO]- 432.97245 204.7
[M+Na-2H]- 394.93327 166.4
[M]+ 373.95805 171.0
[M]- 373.95915 171.0
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.