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]+ 186.056106 133.6
[M+Na]+ 208.038048 143.3
[M-H]- 184.041554 135.3
[M+NH4]+ 203.082653 152.5
[M+K]+ 224.011988 142.6
[M+H-H2O]+ 168.046090 126.4
[M+HCOO]- 230.047031 156.1
[M+CH3COO]- 244.062681 181.3
[M+Na-2H]- 206.023496 139.3
[M]+ 185.04828142 136.2
[M]- 185.04937858 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.