CID 1432578

16344-26-6

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKey
YEXIXVLEDGNAKM-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

248.03525 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 150.7
[M+Na]+ 271.02447 159.5
[M-H]- 247.02797 155.1
[M+NH4]+ 266.06907 166.4
[M+K]+ 286.99841 154.1
[M+H-H2O]+ 231.03251 143.7
[M+HCOO]- 293.03345 169.1
[M+CH3COO]- 307.04910 191.2
[M+Na-2H]- 269.00992 156.9
[M]+ 248.03470 151.6
[M]- 248.03580 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe