CID 15954265

Hpmpfu

Structural Information

Molecular Formula
C8H12FN2O7P
SMILES
C1=C(C(=O)NC(=O)N1C[C@@H](CO)OCP(=O)(O)O)F
InChI
InChI=1S/C8H12FN2O7P/c9-6-2-11(8(14)10-7(6)13)1-5(3-12)18-4-19(15,16)17/h2,5,12H,1,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-/m0/s1
InChIKey
RWBKFPHUHLTXQH-YFKPBYRVSA-N
Compound name
[(2S)-1-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.03662 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04390 159.6
[M+Na]+ 321.02584 167.4
[M-H]- 297.02934 153.4
[M+NH4]+ 316.07044 169.7
[M+K]+ 336.99978 165.0
[M+H-H2O]+ 281.03388 149.8
[M+HCOO]- 343.03482 178.9
[M+CH3COO]- 357.05047 191.4
[M+Na-2H]- 319.01129 160.2
[M]+ 298.03607 160.4
[M]- 298.03717 160.4
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

No patent data available for this compound.