CID 16790578

6-(4-fluorophenoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H8FNO3
SMILES
C1=CC(=CC=C1OC2=NC=C(C=C2)C(=O)O)F
InChI
InChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)17-11-6-1-8(7-14-11)12(15)16/h1-7H,(H,15,16)
InChIKey
JJUJTNYRICRFHE-UHFFFAOYSA-N
Compound name
6-(4-fluorophenoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

233.04883 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.056106 146.7
[M+Na]+ 256.038048 155.4
[M-H]- 232.041554 149.9
[M+NH4]+ 251.082653 162.2
[M+K]+ 272.011988 152.1
[M+H-H2O]+ 216.046090 138.0
[M+HCOO]- 278.047031 167.7
[M+CH3COO]- 292.062681 187.2
[M+Na-2H]- 254.023496 152.2
[M]+ 233.04828142 146.3
[M]- 233.04937858 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