CID 1653057

64910-68-5

Structural Information

Molecular Formula
C12H11ClN2O3S
SMILES
C1=CC(=CC=C1N)OS(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C12H11ClN2O3S/c13-11-6-5-10(7-12(11)15)19(16,17)18-9-3-1-8(14)2-4-9/h1-7H,14-15H2
InChIKey
COMDKLMEFBOYIJ-UHFFFAOYSA-N
Compound name
(4-aminophenyl) 3-amino-4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.01788 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02516 162.4
[M+Na]+ 321.00710 172.2
[M-H]- 297.01060 169.1
[M+NH4]+ 316.05170 178.1
[M+K]+ 336.98104 166.2
[M+H-H2O]+ 281.01514 156.3
[M+HCOO]- 343.01608 177.8
[M+CH3COO]- 357.03173 200.9
[M+Na-2H]- 318.99255 165.9
[M]+ 298.01733 165.2
[M]- 298.01843 165.2
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.