CID 14608008

5'-deoxy-5'-fluorouridine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

734
References

631
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

literature stripe

Patent stripe

patents stripe