CID 451602

3'-deoxy-3'-fluorouridine

Structural Information

Molecular Formula
C9H11FN2O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)O
InChI
InChI=1S/C9H11FN2O5/c10-6-4(3-13)17-8(7(6)15)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChIKey
FVBOTRDLABQYMI-XVFCMESISA-N
Compound name
1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

135
Patents

246.0652 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07248 148.3
[M+Na]+ 269.05442 158.3
[M-H]- 245.05792 148.9
[M+NH4]+ 264.09902 161.8
[M+K]+ 285.02836 155.3
[M+H-H2O]+ 229.06246 140.8
[M+HCOO]- 291.06340 164.3
[M+CH3COO]- 305.07905 183.8
[M+Na-2H]- 267.03987 149.7
[M]+ 246.06465 146.3
[M]- 246.06575 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.