CID 96089

2-fluoronicotinic acid

Structural Information

Molecular Formula
C6H4FNO2
SMILES
C1=CC(=C(N=C1)F)C(=O)O
InChI
InChI=1S/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKey
LLLVHTWJGWNRBD-UHFFFAOYSA-N
Compound name
2-fluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1042
Patents

141.02261 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02989 125.0
[M+Na]+ 164.01183 136.9
[M+NH4]+ 159.05643 132.1
[M+K]+ 179.98577 132.1
[M-H]- 140.01533 124.1
[M+Na-2H]- 161.99728 131.0
[M]+ 141.02206 126.2
[M]- 141.02316 126.2
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