CID 43343464

2-chloro-6-(4-chlorophenoxy)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C12H7Cl2NO3
SMILES
C1=CC(=CC=C1OC2=NC(=CC(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C12H7Cl2NO3/c13-8-1-3-9(4-2-8)18-11-6-7(12(16)17)5-10(14)15-11/h1-6H,(H,16,17)
InChIKey
IISICZHEWQNQSN-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-chlorophenoxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

282.9803 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98758 153.3
[M+Na]+ 305.96952 164.0
[M-H]- 281.97302 157.4
[M+NH4]+ 301.01412 168.6
[M+K]+ 321.94346 158.3
[M+H-H2O]+ 265.97756 147.2
[M+HCOO]- 327.97850 165.7
[M+CH3COO]- 341.99415 194.1
[M+Na-2H]- 303.95497 157.7
[M]+ 282.97975 157.9
[M]- 282.98085 157.9
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