CID 21791027

2-fluoro-4-methoxypyrimidine

Structural Information

Molecular Formula
C5H5FN2O
SMILES
COC1=NC(=NC=C1)F
InChI
InChI=1S/C5H5FN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
OMQUOYFSRFPLLU-UHFFFAOYSA-N
Compound name
2-fluoro-4-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

128.03859 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04587 119.8
[M+Na]+ 151.02781 129.9
[M-H]- 127.03131 119.9
[M+NH4]+ 146.07241 139.5
[M+K]+ 167.00175 128.9
[M+H-H2O]+ 111.03585 112.2
[M+HCOO]- 173.03679 142.2
[M+CH3COO]- 187.05244 170.5
[M+Na-2H]- 149.01326 129.0
[M]+ 128.03804 120.0
[M]- 128.03914 120.0
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