CID 100551

1beta-d-ribofuranosyl-5-fluoropyrimidin-2(1h)-one

Structural Information

Molecular Formula
C9H11FN2O5
SMILES
C1=C(C=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
InChI
InChI=1S/C9H11FN2O5/c10-4-1-11-9(16)12(2-4)8-7(15)6(14)5(3-13)17-8/h1-2,5-8,13-15H,3H2/t5-,6-,7-,8-/m1/s1
InChIKey
BISROEGZKWHITE-WCTZXXKLSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

30
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 148.9
[M+Na]+ 269.05442 158.6
[M-H]- 245.05792 149.5
[M+NH4]+ 264.09902 162.4
[M+K]+ 285.02836 156.2
[M+H-H2O]+ 229.06246 141.3
[M+HCOO]- 291.06340 164.7
[M+CH3COO]- 305.07905 184.5
[M+Na-2H]- 267.03987 150.3
[M]+ 246.06465 147.6
[M]- 246.06575 147.6
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