CID 60150327

5-fluoro-4-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6FNO2
SMILES
CC1=C(C=NC=C1C(=O)O)F
InChI
InChI=1S/C7H6FNO2/c1-4-5(7(10)11)2-9-3-6(4)8/h2-3H,1H3,(H,10,11)
InChIKey
GRIVFOODODSKMR-UHFFFAOYSA-N
Compound name
5-fluoro-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

155.03825 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.045526 126.5
[M+Na]+ 178.027468 136.3
[M-H]- 154.030974 126.9
[M+NH4]+ 173.072073 145.9
[M+K]+ 194.001408 134.3
[M+H-H2O]+ 138.035510 120.0
[M+HCOO]- 200.036451 147.5
[M+CH3COO]- 214.052101 174.2
[M+Na-2H]- 176.012916 132.2
[M]+ 155.03770142 125.5
[M]- 155.03879858 125.5
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