CID 123450

2-phenoxynicotinic acid

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)

InChIKey

CQGAXJGXGLVFGJ-UHFFFAOYSA-N

Compound name

2-phenoxypyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 290
Patents: 215.05824 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.065516	144.1
[M+Na]+	238.047458	151.9
[M-H]-	214.050964	148.4
[M+NH4]+	233.092063	160.1
[M+K]+	254.021398	148.9
[M+H-H2O]+	198.055500	136.2
[M+HCOO]-	260.056441	166.2
[M+CH3COO]-	274.072091	183.4
[M+Na-2H]-	236.032906	151.0
[M]+	215.05769142	144.4
[M]-	215.05878858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe