CID 3055231

Picolinic acid, 5-(p-chlorophenoxy)-, ethyl ester

Structural Information

Molecular Formula
C14H12ClNO3
SMILES
CCOC(=O)C1=NC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO3/c1-2-18-14(17)13-8-7-12(9-16-13)19-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3
InChIKey
WRCVJCBJEBIBFI-UHFFFAOYSA-N
Compound name
ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.05057 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05785 159.1
[M+Na]+ 300.03979 174.7
[M+NH4]+ 295.08439 167.1
[M+K]+ 316.01373 167.0
[M-H]- 276.04329 162.6
[M+Na-2H]- 298.02524 168.2
[M]+ 277.05002 162.6
[M]- 277.05112 162.6
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