CID 5272753

3'-c-(trifluoromethyl)uridine

Structural Information

Molecular Formula
C10H11F3N2O6
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)CO)(C(F)(F)F)O)O
InChI
InChI=1S/C10H11F3N2O6/c11-10(12,13)9(20)4(3-16)21-7(6(9)18)15-2-1-5(17)14-8(15)19/h1-2,4,6-7,16,18,20H,3H2,(H,14,17,19)/t4-,6+,7-,9-/m1/s1
InChIKey
RAXHQGPNTDBISO-FPSVSHIKSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.05692 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06420 159.8
[M+Na]+ 335.04614 170.1
[M-H]- 311.04964 156.8
[M+NH4]+ 330.09074 171.9
[M+K]+ 351.02008 166.9
[M+H-H2O]+ 295.05418 152.2
[M+HCOO]- 357.05512 170.5
[M+CH3COO]- 371.07077 192.0
[M+Na-2H]- 333.03159 162.2
[M]+ 312.05637 155.5
[M]- 312.05747 155.5
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

No patent data available for this compound.