CID 12627624

2-[(3,4-dichlorophenyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H8Cl2N2O2
SMILES
C1=CC(=C(N=C1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C12H8Cl2N2O2/c13-9-4-3-7(6-10(9)14)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKey
FJBJORSODLVTLR-UHFFFAOYSA-N
Compound name
2-(3,4-dichloroanilino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.99628 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00356 156.0
[M+Na]+ 304.98550 165.9
[M-H]- 280.98900 160.0
[M+NH4]+ 300.03010 171.0
[M+K]+ 320.95944 159.5
[M+H-H2O]+ 264.99354 149.8
[M+HCOO]- 326.99448 169.2
[M+CH3COO]- 341.01013 196.9
[M+Na-2H]- 302.97095 160.6
[M]+ 281.99573 158.5
[M]- 281.99683 158.5
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

patents stripe