CID 5274137

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

Structural Information

Molecular Formula
C12H16FN2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C=C)O)F
InChI
InChI=1S/C12H16FN2O6P/c1-3-22(18,19)20-6-9-8(13)4-10(21-9)15-5-7(2)11(16)14-12(15)17/h3,5,8-10H,1,4,6H2,2H3,(H,18,19)(H,14,16,17)/t8-,9+,10+/m0/s1
InChIKey
TZBJIJPCMYZSHO-IVZWLZJFSA-N
Compound name
ethenyl-[[(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

334.073 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08028 170.9
[M+Na]+ 357.06222 179.5
[M-H]- 333.06572 171.2
[M+NH4]+ 352.10682 181.7
[M+K]+ 373.03616 177.1
[M+H-H2O]+ 317.07026 160.8
[M+HCOO]- 379.07120 191.2
[M+CH3COO]- 393.08685 203.2
[M+Na-2H]- 355.04767 169.2
[M]+ 334.07245 172.0
[M]- 334.07355 172.0
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.