CID 122156771

Methyl 3-fluoro-4-methoxypyridine-2-carboxylate

Structural Information

Molecular Formula
C8H8FNO3
SMILES
COC1=C(C(=NC=C1)C(=O)OC)F
InChI
InChI=1S/C8H8FNO3/c1-12-5-3-4-10-7(6(5)9)8(11)13-2/h3-4H,1-2H3
InChIKey
ALUDYQLMYWACRN-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-4-methoxypyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04883 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 133.6
[M+Na]+ 208.03805 143.3
[M-H]- 184.04155 135.3
[M+NH4]+ 203.08265 152.5
[M+K]+ 224.01199 142.6
[M+H-H2O]+ 168.04609 126.4
[M+HCOO]- 230.04703 156.1
[M+CH3COO]- 244.06268 181.3
[M+Na-2H]- 206.02350 139.3
[M]+ 185.04828 136.2
[M]- 185.04938 136.2
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

No patent data available for this compound.