CID 4987471

2,5-diamino-n-(2-chlorophenyl)benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.03387 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04115 164.0
[M+Na]+ 320.02309 175.8
[M+NH4]+ 315.06769 171.6
[M+K]+ 335.99703 168.0
[M-H]- 296.02659 168.6
[M+Na-2H]- 318.00854 171.7
[M]+ 297.03332 167.6
[M]- 297.03442 167.6
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.