CID 6475431

1-[(z)-2-diethoxyphosphorylvinyl]-5-fluoro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14FN2O5P
SMILES
CCOP(=O)(/C=C\N1C=C(C(=O)NC1=O)F)OCC
InChI
InChI=1S/C10H14FN2O5P/c1-3-17-19(16,18-4-2)6-5-13-7-8(11)9(14)12-10(13)15/h5-7H,3-4H2,1-2H3,(H,12,14,15)/b6-5-
InChIKey
WFEWAJSMVJHQDE-WAYWQWQTSA-N
Compound name
1-[(Z)-2-diethoxyphosphorylethenyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06244 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06972 160.8
[M+Na]+ 315.05166 170.3
[M-H]- 291.05516 158.5
[M+NH4]+ 310.09626 173.8
[M+K]+ 331.02560 167.5
[M+H-H2O]+ 275.05970 150.4
[M+HCOO]- 337.06064 185.0
[M+CH3COO]- 351.07629 197.1
[M+Na-2H]- 313.03711 162.7
[M]+ 292.06189 165.1
[M]- 292.06299 165.1
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.