CID 452275

129151-64-0

Structural Information

Molecular Formula
C11H16FN2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)(O)O)F
InChI
InChI=1S/C11H16FN2O7P/c1-6-3-14(11(16)13-10(6)15)9-2-7(12)8(21-9)4-20-5-22(17,18)19/h3,7-9H,2,4-5H2,1H3,(H,13,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
InChIKey
HQVRLAUZOITBHR-DJLDLDEBSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.0679 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07518 170.5
[M+Na]+ 361.05712 178.3
[M-H]- 337.06062 169.6
[M+NH4]+ 356.10172 180.3
[M+K]+ 377.03106 176.7
[M+H-H2O]+ 321.06516 160.5
[M+HCOO]- 383.06610 189.6
[M+CH3COO]- 397.08175 201.3
[M+Na-2H]- 359.04257 169.1
[M]+ 338.06735 171.4
[M]- 338.06845 171.4
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.