CID 68351

Disulon

Structural Information

Molecular Formula
C12H13N3O4S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
InChIKey
GCQZFVAHUZIDRP-UHFFFAOYSA-N
Compound name
4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

980
Patents

327.03476 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04204 169.2
[M+Na]+ 350.02398 177.5
[M+NH4]+ 345.06858 174.6
[M+K]+ 365.99792 170.8
[M-H]- 326.02748 171.5
[M+Na-2H]- 348.00943 175.3
[M]+ 327.03421 171.6
[M]- 327.03531 171.6
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