CID 55265268

5-fluoro-6-methylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6FNO2
SMILES
CC1=C(C=CC(=N1)C(=O)O)F
InChI
InChI=1S/C7H6FNO2/c1-4-5(8)2-3-6(9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
ZJEGUWBJHQZLDE-UHFFFAOYSA-N
Compound name
5-fluoro-6-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

155.03825 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04553 126.5
[M+Na]+ 178.02747 136.3
[M-H]- 154.03097 126.9
[M+NH4]+ 173.07207 145.9
[M+K]+ 194.00141 134.3
[M+H-H2O]+ 138.03551 120.0
[M+HCOO]- 200.03645 147.5
[M+CH3COO]- 214.05210 174.2
[M+Na-2H]- 176.01292 132.2
[M]+ 155.03770 125.5
[M]- 155.03880 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