CID 120247

Methyl 5-fluoro-3-pyridinecarboxylate

Structural Information

Molecular Formula
C7H6FNO2
SMILES
COC(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
InChIKey
PGCFLXMMCWKPDU-UHFFFAOYSA-N
Compound name
methyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

169
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 126.4
[M+Na]+ 178.027468 135.8
[M-H]- 154.030974 128.0
[M+NH4]+ 173.072073 146.3
[M+K]+ 194.001408 134.8
[M+H-H2O]+ 138.035510 119.4
[M+HCOO]- 200.036451 149.1
[M+CH3COO]- 214.052101 175.0
[M+Na-2H]- 176.012916 133.4
[M]+ 155.03770142 126.9
[M]- 155.03879858 126.9
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