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]+ 298.041146 163.1
[M+Na]+ 320.023088 172.1
[M-H]- 296.026594 169.6
[M+NH4]+ 315.067693 178.4
[M+K]+ 335.997028 165.4
[M+H-H2O]+ 280.031130 156.8
[M+HCOO]- 342.032071 179.2
[M+CH3COO]- 356.047721 204.0
[M+Na-2H]- 318.008536 166.9
[M]+ 297.03332142 163.7
[M]- 297.03441858 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.