CID 242819

6-fluoronicotinic acid

Structural Information

Molecular Formula
C6H4FNO2
SMILES
C1=CC(=NC=C1C(=O)O)F
InChI
InChI=1S/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKey
UJDLCTNVHJEBDG-UHFFFAOYSA-N
Compound name
6-fluoropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

963
Patents

141.02261 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.02989 122.4
[M+Na]+ 164.01183 131.6
[M-H]- 140.01533 122.6
[M+NH4]+ 159.05643 142.0
[M+K]+ 179.98577 129.9
[M+H-H2O]+ 124.01987 115.8
[M+HCOO]- 186.02081 143.8
[M+CH3COO]- 200.03646 170.0
[M+Na-2H]- 161.99728 129.3
[M]+ 141.02206 120.6
[M]- 141.02316 120.6
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