CID 509512

Chembl473692

Structural Information

Molecular Formula
C9H10F2N2O4
SMILES
C1[C@H](O[C@H](C1(F)F)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H10F2N2O4/c10-9(11)3-7(17-5(9)4-14)13-2-1-6(15)12-8(13)16/h1-2,5,7,14H,3-4H2,(H,12,15,16)/t5-,7-/m0/s1
InChIKey
ILYJQDXYIVBGBE-FSPLSTOPSA-N
Compound name
1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

248.06087 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06815 145.8
[M+Na]+ 271.05009 156.6
[M-H]- 247.05359 146.4
[M+NH4]+ 266.09469 161.8
[M+K]+ 287.02403 153.7
[M+H-H2O]+ 231.05813 137.9
[M+HCOO]- 293.05907 162.2
[M+CH3COO]- 307.07472 184.7
[M+Na-2H]- 269.03554 149.2
[M]+ 248.06032 143.1
[M]- 248.06142 143.1
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