CID 5274139

[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-fluoro-phosphinic acid

Structural Information

Molecular Formula
C9H12FN2O6P
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)F)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H12FN2O6P/c10-19(15,16)17-5-6-1-2-8(18-6)12-4-3-7(13)11-9(12)14/h3-4,6,8H,1-2,5H2,(H,15,16)(H,11,13,14)/t6-,8+/m0/s1
InChIKey
JUFZBNWCUIVMOV-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-fluorophosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0417 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04898 158.2
[M+Na]+ 317.03092 166.0
[M-H]- 293.03442 158.3
[M+NH4]+ 312.07552 170.1
[M+K]+ 333.00486 164.8
[M+H-H2O]+ 277.03896 148.0
[M+HCOO]- 339.03990 179.5
[M+CH3COO]- 353.05555 192.3
[M+Na-2H]- 315.01637 159.2
[M]+ 294.04115 158.1
[M]- 294.04225 158.1
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.