CID 462399

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

Structural Information

Molecular Formula
C11H16FN2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCP(=O)(O)O)F
InChI
InChI=1S/C11H16FN2O6P/c1-6-5-14(11(16)13-10(6)15)9-4-7(12)8(20-9)2-3-21(17,18)19/h5,7-9H,2-4H2,1H3,(H,13,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
InChIKey
BAGVUJHCRKSQTD-DJLDLDEBSA-N
Compound name
2-[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.073 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08028 168.9
[M+Na]+ 345.06222 177.1
[M-H]- 321.06572 168.0
[M+NH4]+ 340.10682 179.5
[M+K]+ 361.03616 174.7
[M+H-H2O]+ 305.07026 159.1
[M+HCOO]- 367.07120 187.8
[M+CH3COO]- 381.08685 198.8
[M+Na-2H]- 343.04767 167.1
[M]+ 322.07245 168.5
[M]- 322.07355 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.