CID 2776497

6-phenoxynicotinic acid

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
InChIKey
GFEUNYLQJDQNAN-UHFFFAOYSA-N
Compound name
6-phenoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

112
Patents

215.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.1
[M+Na]+ 238.04746 151.9
[M-H]- 214.05096 148.4
[M+NH4]+ 233.09206 160.1
[M+K]+ 254.02140 148.9
[M+H-H2O]+ 198.05550 136.2
[M+HCOO]- 260.05644 166.2
[M+CH3COO]- 274.07209 183.4
[M+Na-2H]- 236.03291 151.0
[M]+ 215.05769 144.4
[M]- 215.05879 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe