CID 62254439

6-(3-chlorophenoxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C12H8ClNO3
SMILES
C1=CC(=CC(=C1)Cl)OC2=CC=CC(=N2)C(=O)O
InChI
InChI=1S/C12H8ClNO3/c13-8-3-1-4-9(7-8)17-11-6-2-5-10(14-11)12(15)16/h1-7H,(H,15,16)
InChIKey
OLZSEIZULIUQSP-UHFFFAOYSA-N
Compound name
6-(3-chlorophenoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.01927 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02655 149.0
[M+Na]+ 272.00849 158.5
[M-H]- 248.01199 153.5
[M+NH4]+ 267.05309 164.9
[M+K]+ 287.98243 153.8
[M+H-H2O]+ 232.01653 142.0
[M+HCOO]- 294.01747 166.5
[M+CH3COO]- 308.03312 188.3
[M+Na-2H]- 269.99394 154.8
[M]+ 249.01872 151.9
[M]- 249.01982 151.9
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

No patent data available for this compound.