CID 65125041

2-[(4-chlorophenyl)methoxy]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
C1=CC(=C(N=C1)OCC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H10ClNO3/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)
InChIKey
CZGMDZBXEWVRBJ-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methoxy]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.0349 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04218 155.0
[M+Na]+ 286.02412 170.3
[M+NH4]+ 281.06872 162.8
[M+K]+ 301.99806 163.1
[M-H]- 262.02762 158.0
[M+Na-2H]- 284.00957 163.8
[M]+ 263.03435 158.3
[M]- 263.03545 158.3
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