CID 4524039

380342-96-1

Structural Information

Molecular Formula
C12H12ClN3O2S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N)N)Cl
InChI
InChI=1S/C12H12ClN3O2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-11(14)12(15)7-10/h1-7,16H,14-15H2
InChIKey
OGXGXTKKQXKKLW-UHFFFAOYSA-N
Compound name
3,4-diamino-N-(4-chlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.03387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04115 163.1
[M+Na]+ 320.02309 172.1
[M-H]- 296.02659 169.6
[M+NH4]+ 315.06769 178.4
[M+K]+ 335.99703 165.4
[M+H-H2O]+ 280.03113 156.8
[M+HCOO]- 342.03207 179.2
[M+CH3COO]- 356.04772 204.0
[M+Na-2H]- 318.00854 166.9
[M]+ 297.03332 163.7
[M]- 297.03442 163.7
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.