CID 605123

2-(4-fluorophenoxy)nicotinic acid

Structural Information

Molecular Formula
C12H8FNO3
SMILES
C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKey
SDZUYDOXBXHDCE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

233.04883 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05611 146.7
[M+Na]+ 256.03805 155.4
[M-H]- 232.04155 149.9
[M+NH4]+ 251.08265 162.2
[M+K]+ 272.01199 152.1
[M+H-H2O]+ 216.04609 138.0
[M+HCOO]- 278.04703 167.7
[M+CH3COO]- 292.06268 187.2
[M+Na-2H]- 254.02350 152.2
[M]+ 233.04828 146.3
[M]- 233.04938 146.3
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