CID 474359

170114-35-9

Structural Information

Molecular Formula
C15H11F5N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)OC3=C(C(=C(C(=C3F)F)F)F)F)CO)O
InChI
InChI=1S/C15H11F5N2O5/c16-9-10(17)12(19)14(13(20)11(9)18)27-7-1-2-22(15(25)21-7)8-3-5(24)6(4-23)26-8/h1-2,5-6,8,23-24H,3-4H2/t5-,6+,8+/m0/s1
InChIKey
NSRDUYPRJLONEY-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.0588 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06608 183.1
[M+Na]+ 417.04802 195.5
[M-H]- 393.05152 183.9
[M+NH4]+ 412.09262 191.5
[M+K]+ 433.02196 190.4
[M+H-H2O]+ 377.05606 170.6
[M+HCOO]- 439.05700 195.2
[M+CH3COO]- 453.07265 217.1
[M+Na-2H]- 415.03347 178.7
[M]+ 394.05825 180.5
[M]- 394.05935 180.5
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.