CID 454159

141249-32-3

Structural Information

Molecular Formula
C9H10F2N2O4
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=C(C(=O)NC2=O)F)CO
InChI
InChI=1S/C9H10F2N2O4/c10-5-1-4(3-14)17-8(5)13-2-6(11)7(15)12-9(13)16/h2,4-5,8,14H,1,3H2,(H,12,15,16)/t4-,5-,8+/m0/s1
InChIKey
UBORYGFEGAKOOC-ZVQZEWSASA-N
Compound name
5-fluoro-1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

248.06087 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06815 147.6
[M+Na]+ 271.05009 158.3
[M-H]- 247.05359 148.1
[M+NH4]+ 266.09469 161.7
[M+K]+ 287.02403 155.0
[M+H-H2O]+ 231.05813 139.1
[M+HCOO]- 293.05907 163.9
[M+CH3COO]- 307.07472 186.5
[M+Na-2H]- 269.03554 148.8
[M]+ 248.06032 144.9
[M]- 248.06142 144.9
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