CID 454312

(+/-)-5cf3-dioxolane-u

Structural Information

Molecular Formula
C9H9F3N2O5
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=O)NC2=O)C(F)(F)F
InChI
InChI=1S/C9H9F3N2O5/c10-9(11,12)4-1-14(8(17)13-7(4)16)5-3-18-6(2-15)19-5/h1,5-6,15H,2-3H2,(H,13,16,17)/t5-,6-/m1/s1
InChIKey
HRUCCLXTXHRWKN-PHDIDXHHSA-N
Compound name
1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

282.04636 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05364 154.1
[M+Na]+ 305.03558 164.3
[M-H]- 281.03908 153.9
[M+NH4]+ 300.08018 165.2
[M+K]+ 321.00952 162.6
[M+H-H2O]+ 265.04362 145.1
[M+HCOO]- 327.04456 167.0
[M+CH3COO]- 341.06021 190.4
[M+Na-2H]- 303.02103 157.2
[M]+ 282.04581 151.3
[M]- 282.04691 151.3
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.