CID 454861

D4t 5'(di-f3et)po4

Structural Information

Molecular Formula
C14H15F6N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C14H15F6N2O7P/c1-8-4-22(12(24)21-11(8)23)10-3-2-9(29-10)5-26-30(25,27-6-13(15,16)17)28-7-14(18,19)20/h2-4,9-10H,5-7H2,1H3,(H,21,23,24)/t9-,10+/m0/s1
InChIKey
ATTNZXDAJMWKIX-VHSXEESVSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl bis(2,2,2-trifluoroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.0521 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.05938 196.5
[M+Na]+ 491.04132 204.9
[M-H]- 467.04482 192.0
[M+NH4]+ 486.08592 202.1
[M+K]+ 507.01526 203.3
[M+H-H2O]+ 451.04936 182.1
[M+HCOO]- 513.05030 210.4
[M+CH3COO]- 527.06595 226.0
[M+Na-2H]- 489.02677 196.7
[M]+ 468.05155 195.6
[M]- 468.05265 195.6
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.