CID 3012044

Fluoro-[[(2r,3s,5r)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphinic acid

Structural Information

Molecular Formula
C10H13F2N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)F)F
InChI
InChI=1S/C10H13F2N2O6P/c1-5-3-14(10(16)13-9(5)15)8-2-6(11)7(20-8)4-19-21(12,17)18/h3,6-8H,2,4H2,1H3,(H,17,18)(H,13,15,16)/t6-,7+,8+/m0/s1
InChIKey
GRVFNODAPVLGHG-XLPZGREQSA-N
Compound name
fluoro-[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.04794 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05522 165.5
[M+Na]+ 349.03716 174.7
[M-H]- 325.04066 164.8
[M+NH4]+ 344.08176 176.6
[M+K]+ 365.01110 172.9
[M+H-H2O]+ 309.04520 154.8
[M+HCOO]- 371.04614 185.3
[M+CH3COO]- 385.06179 200.7
[M+Na-2H]- 347.02261 164.2
[M]+ 326.04739 165.5
[M]- 326.04849 165.5
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.