CID 9861037

4-amino-3-iodobenzenesulfonamide

Structural Information

Molecular Formula
C6H7IN2O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)I)N
InChI
InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
InChIKey
HCODCRHNVCTCTR-UHFFFAOYSA-N
Compound name
4-amino-3-iodobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

18
Patents

297.9273 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.934576 154.4
[M+Na]+ 320.916518 156.2
[M-H]- 296.920024 150.8
[M+NH4]+ 315.961123 168.5
[M+K]+ 336.890458 158.6
[M+H-H2O]+ 280.924560 144.8
[M+HCOO]- 342.925501 168.8
[M+CH3COO]- 356.941151 191.1
[M+Na-2H]- 318.901966 145.4
[M]+ 297.92675142 150.6
[M]- 297.92784858 150.6
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