CID 6475446

[(z)-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)vinyl]phosphonic acid

Structural Information

Molecular Formula
C6H6FN2O5P
SMILES
C1=C(C(=O)NC(=O)N1/C=C\P(=O)(O)O)F
InChI
InChI=1S/C6H6FN2O5P/c7-4-3-9(1-2-15(12,13)14)6(11)8-5(4)10/h1-3H,(H,8,10,11)(H2,12,13,14)/b2-1-
InChIKey
ZGLTUWHZKSAWIT-UPHRSURJSA-N
Compound name
[(Z)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.99983 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00711 144.9
[M+Na]+ 258.98905 155.3
[M-H]- 234.99255 140.5
[M+NH4]+ 254.03365 158.6
[M+K]+ 274.96299 151.5
[M+H-H2O]+ 218.99709 135.8
[M+HCOO]- 280.99803 167.3
[M+CH3COO]- 295.01368 180.3
[M+Na-2H]- 256.97450 147.6
[M]+ 235.99928 143.9
[M]- 236.00038 143.9
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.