CID 511669

2'-deoxy-2'-(trifluoromethyl)cytidine

Structural Information

Molecular Formula
C10H12F3N3O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)C(F)(F)F
InChI
InChI=1S/C10H12F3N3O4/c11-10(12,13)6-7(18)4(3-17)20-8(6)16-2-1-5(14)15-9(16)19/h1-2,4,6-8,17-18H,3H2,(H2,14,15,19)/t4-,6-,7-,8-/m1/s1
InChIKey
NQDBUQKNVZSCEV-XVFCMESISA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.078 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08528 160.8
[M+Na]+ 318.06722 170.3
[M-H]- 294.07072 159.7
[M+NH4]+ 313.11182 172.6
[M+K]+ 334.04116 167.2
[M+H-H2O]+ 278.07526 151.5
[M+HCOO]- 340.07620 174.3
[M+CH3COO]- 354.09185 197.6
[M+Na-2H]- 316.05267 161.5
[M]+ 295.07745 155.7
[M]- 295.07855 155.7
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

No patent data available for this compound.