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]+ 283.987576 153.3
[M+Na]+ 305.969518 164.0
[M-H]- 281.973024 157.4
[M+NH4]+ 301.014123 168.6
[M+K]+ 321.943458 158.3
[M+H-H2O]+ 265.977560 147.2
[M+HCOO]- 327.978501 165.7
[M+CH3COO]- 341.994151 194.1
[M+Na-2H]- 303.954966 157.7
[M]+ 282.97975142 157.9
[M]- 282.98084858 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