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 158.2
[M+Na]+ 300.03979 167.4
[M-H]- 276.04329 163.8
[M+NH4]+ 295.08439 173.8
[M+K]+ 316.01373 163.2
[M+H-H2O]+ 260.04783 150.5
[M+HCOO]- 322.04877 176.6
[M+CH3COO]- 336.06442 196.1
[M+Na-2H]- 298.02524 163.4
[M]+ 277.05002 163.6
[M]- 277.05112 163.6
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