CID 13922189

Dfdu

Structural Information

Molecular Formula
C9H10F2N2O5
SMILES
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F
InChI
InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)
InChIKey
FIRDBEQIJQERSE-UHFFFAOYSA-N
Compound name
1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

83
References

1146
Patents

264.0558 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.063076 149.0
[M+Na]+ 287.045018 160.0
[M-H]- 263.048524 148.5
[M+NH4]+ 282.089623 163.8
[M+K]+ 303.018958 156.9
[M+H-H2O]+ 247.053060 141.5
[M+HCOO]- 309.054001 164.0
[M+CH3COO]- 323.069651 186.1
[M+Na-2H]- 285.030466 151.4
[M]+ 264.05525142 146.4
[M]- 264.05634858 146.4
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

patents stripe