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

2
Patents

263.0349 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.042176 153.6
[M+Na]+ 286.024118 162.7
[M-H]- 262.027624 157.9
[M+NH4]+ 281.068723 168.9
[M+K]+ 301.998058 157.8
[M+H-H2O]+ 246.032160 146.4
[M+HCOO]- 308.033101 170.8
[M+CH3COO]- 322.048751 191.3
[M+Na-2H]- 284.009566 158.9
[M]+ 263.03435142 156.9
[M]- 263.03544858 156.9
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