CID 472593

3'-fluoro-3',5'-dideoxythymidine-5'-phosphonic acid

Structural Information

Molecular Formula
C10H14FN2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)O)F
InChI
InChI=1S/C10H14FN2O6P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(19-8)4-20(16,17)18/h3,6-8H,2,4H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
UGRMCKZQBIMFFT-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.05734 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06462 164.3
[M+Na]+ 331.04656 172.9
[M-H]- 307.05006 163.5
[M+NH4]+ 326.09116 175.4
[M+K]+ 347.02050 170.7
[M+H-H2O]+ 291.05460 154.7
[M+HCOO]- 353.05554 183.5
[M+CH3COO]- 367.07119 195.8
[M+Na-2H]- 329.03201 163.0
[M]+ 308.05679 163.5
[M]- 308.05789 163.5
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.