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

21
Patents

155.03825 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04553 129.5
[M+Na]+ 178.02747 141.5
[M+NH4]+ 173.07207 136.5
[M+K]+ 194.00141 136.7
[M-H]- 154.03097 128.6
[M+Na-2H]- 176.01292 135.0
[M]+ 155.03770 130.7
[M]- 155.03880 130.7
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