CID 511670

2'-deoxy-2'-(trifluoromethyl)uridine

Structural Information

Molecular Formula
C10H11F3N2O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O5/c11-10(12,13)6-7(18)4(3-16)20-8(6)15-2-1-5(17)14-9(15)19/h1-2,4,6-8,16,18H,3H2,(H,14,17,19)/t4-,6-,7-,8-/m1/s1
InChIKey
AKXNGNCUONECRN-XVFCMESISA-N
Compound name
1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06928 158.5
[M+Na]+ 319.05122 168.5
[M-H]- 295.05472 156.5
[M+NH4]+ 314.09582 169.9
[M+K]+ 335.02516 165.0
[M+H-H2O]+ 279.05926 149.7
[M+HCOO]- 341.06020 170.4
[M+CH3COO]- 355.07585 192.2
[M+Na-2H]- 317.03667 159.4
[M]+ 296.06145 154.0
[M]- 296.06255 154.0
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.