CID 118990126

1-(5-fluoro-2-methoxypyridin-4-yl)ethanone

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC(=O)C1=CC(=NC=C1F)OC
InChI
InChI=1S/C8H8FNO2/c1-5(11)6-3-8(12-2)10-4-7(6)9/h3-4H,1-2H3
InChIKey
JNTMAMXPICQOSW-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-methoxy-4-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05391 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 130.3
[M+Na]+ 192.043128 140.1
[M-H]- 168.046634 132.0
[M+NH4]+ 187.087733 149.8
[M+K]+ 208.017068 138.8
[M+H-H2O]+ 152.051170 123.3
[M+HCOO]- 214.052111 152.5
[M+CH3COO]- 228.067761 179.9
[M+Na-2H]- 190.028576 136.0
[M]+ 169.05336142 131.6
[M]- 169.05445858 131.6
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.