CID 9427

5-fluorouridine

Structural Information

Molecular Formula
C9H11FN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
InChI
InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey
FHIDNBAQOFJWCA-UAKXSSHOSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

325
References

21872
Patents

262.06012 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.067396 151.6
[M+Na]+ 285.049338 161.8
[M-H]- 261.052844 151.2
[M+NH4]+ 280.093943 163.8
[M+K]+ 301.023278 158.6
[M+H-H2O]+ 245.057380 144.4
[M+HCOO]- 307.058321 166.2
[M+CH3COO]- 321.073971 185.5
[M+Na-2H]- 283.034786 152.0
[M]+ 262.05957142 149.7
[M]- 262.06066858 149.7
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