CID 474304

Beta-l-fddcmp

Structural Information

Molecular Formula
C9H13FN3O6P
SMILES
C1C[C@H](O[C@H]1COP(=O)(O)O)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C9H13FN3O6P/c10-6-3-13(9(14)12-8(6)11)7-2-1-5(19-7)4-18-20(15,16)17/h3,5,7H,1-2,4H2,(H2,11,12,14)(H2,15,16,17)/t5-,7+/m1/s1
InChIKey
JWIYIILDGOYCMX-VDTYLAMSSA-N
Compound name
[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.0526 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05988 163.2
[M+Na]+ 332.04182 170.6
[M-H]- 308.04532 163.1
[M+NH4]+ 327.08642 174.1
[M+K]+ 348.01576 169.7
[M+H-H2O]+ 292.04986 152.7
[M+HCOO]- 354.05080 184.6
[M+CH3COO]- 368.06645 199.3
[M+Na-2H]- 330.02727 163.2
[M]+ 309.05205 162.4
[M]- 309.05315 162.4
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.