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 163.4
[M+Na]+ 321.00710 176.0
[M+NH4]+ 316.05170 171.0
[M+K]+ 336.98104 168.3
[M-H]- 297.01060 167.3
[M+Na-2H]- 318.99255 171.0
[M]+ 298.01733 167.0
[M]- 298.01843 167.0
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.