CID 247908

4-amino-n-(4-iodophenyl)benzenesulfonamide

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

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

literature stripe

Patent stripe

patents stripe