CID 452035

Uridine, 2',3'-dideoxy-2',3'-difluoro-

Structural Information

Molecular Formula
C9H10F2N2O4
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)F
InChI
InChI=1S/C9H10F2N2O4/c10-6-4(3-14)17-8(7(6)11)13-2-1-5(15)12-9(13)16/h1-2,4,6-8,14H,3H2,(H,12,15,16)/t4-,6-,7-,8-/m1/s1
InChIKey
ZACSMWVJEMXZMV-XVFCMESISA-N
Compound name
1-[(2R,3S,4R,5R)-3,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

248.06087 Da
Monoisotopic Mass

-0.5
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