CID 5274133

2,4(1h,3h)-pyrimidinedione, 1-[2,3-dideoxy-3-fluoro-5-o-[(fluoromethyl)hydroxyphosphinyl]-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C11H15F2N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CF)O)F
InChI
InChI=1S/C11H15F2N2O6P/c1-6-3-15(11(17)14-10(6)16)9-2-7(13)8(21-9)4-20-22(18,19)5-12/h3,7-9H,2,4-5H2,1H3,(H,18,19)(H,14,16,17)/t7-,8+,9+/m0/s1
InChIKey
FFCDGPPAEAVHOB-DJLDLDEBSA-N
Compound name
fluoromethyl-[[(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

340.06357 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07085 170.3
[M+Na]+ 363.05279 179.0
[M-H]- 339.05629 169.3
[M+NH4]+ 358.09739 180.8
[M+K]+ 379.02673 177.0
[M+H-H2O]+ 323.06083 159.3
[M+HCOO]- 385.06177 189.7
[M+CH3COO]- 399.07742 203.7
[M+Na-2H]- 361.03824 168.5
[M]+ 340.06302 170.5
[M]- 340.06412 170.5
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.