CID 345379

Methyl 2-fluoropyridine-4-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

155.03825 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe