CID 16740479

3-amino-2-(2-chlorophenylamino)benzoic acid

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1=CC=C(C(=C1)NC2=C(C=CC=C2N)C(=O)O)Cl
InChI
InChI=1S/C13H11ClN2O2/c14-9-5-1-2-7-11(9)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,15H2,(H,17,18)
InChIKey
OQUDQFCNBSUBEY-UHFFFAOYSA-N
Compound name
3-amino-2-(2-chloroanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0509 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 156.2
[M+Na]+ 285.04012 164.6
[M-H]- 261.04362 161.8
[M+NH4]+ 280.08472 172.4
[M+K]+ 301.01406 159.0
[M+H-H2O]+ 245.04816 150.0
[M+HCOO]- 307.04910 176.0
[M+CH3COO]- 321.06475 197.4
[M+Na-2H]- 283.02557 160.2
[M]+ 262.05035 155.8
[M]- 262.05145 155.8
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.