CID 3021907

N-(o-aminophenyl)-5-chloroanthranilic acid

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1=CC=C(C(=C1)N)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H11ClN2O2/c14-8-5-6-11(9(7-8)13(17)18)16-12-4-2-1-3-10(12)15/h1-7,16H,15H2,(H,17,18)
InChIKey
HESOTZPIFSCRFY-UHFFFAOYSA-N
Compound name
2-(2-aminoanilino)-5-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.058176 156.2
[M+Na]+ 285.040118 164.6
[M-H]- 261.043624 161.8
[M+NH4]+ 280.084723 172.4
[M+K]+ 301.014058 159.0
[M+H-H2O]+ 245.048160 150.0
[M+HCOO]- 307.049101 176.0
[M+CH3COO]- 321.064751 197.4
[M+Na-2H]- 283.025566 160.2
[M]+ 262.05035142 155.8
[M]- 262.05144858 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.