CID 5274136

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

Structural Information

Molecular Formula
C11H14ClF2N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C(F)Cl)O)F
InChI
InChI=1S/C11H14ClF2N2O6P/c1-5-3-16(11(18)15-9(5)17)8-2-6(13)7(22-8)4-21-23(19,20)10(12)14/h3,6-8,10H,2,4H2,1H3,(H,19,20)(H,15,17,18)/t6-,7+,8+,10?/m0/s1
InChIKey
WANJIOIIERMFLK-ZYPUDGPYSA-N
Compound name
[chloro(fluoro)methyl]-[[(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

374.0246 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03188 173.0
[M+Na]+ 397.01382 182.2
[M-H]- 373.01732 172.4
[M+NH4]+ 392.05842 183.1
[M+K]+ 412.98776 179.2
[M+H-H2O]+ 357.02186 162.9
[M+HCOO]- 419.02280 187.0
[M+CH3COO]- 433.03845 208.3
[M+Na-2H]- 394.99927 170.1
[M]+ 374.02405 174.8
[M]- 374.02515 174.8
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.