CID 5274134

Schembl6420653

Structural Information

Molecular Formula
C10H14FN2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)F
InChI
InChI=1S/C10H14FN2O6P/c1-6-4-13(10(15)12-9(6)14)8-3-2-7(19-8)5-18-20(11,16)17/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H,12,14,15)/t7-,8+/m0/s1
InChIKey
ULUSLSKVTWZHHY-JGVFFNPUSA-N
Compound name
fluoro-[[(2S,5R)-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

6
Patents

308.05734 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06462 163.0
[M+Na]+ 331.04656 171.2
[M-H]- 307.05006 163.2
[M+NH4]+ 326.09116 174.6
[M+K]+ 347.02050 169.8
[M+H-H2O]+ 291.05460 152.8
[M+HCOO]- 353.05554 183.8
[M+CH3COO]- 367.07119 196.6
[M+Na-2H]- 329.03201 162.8
[M]+ 308.05679 163.6
[M]- 308.05789 163.6
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.