CID 391263

Nsc690202

Structural Information

Molecular Formula
C11H11F3N2O4
SMILES
CC1=CN(C(=O)NC1=O)C2C=CC(O2)(CO)C(F)(F)F
InChI
InChI=1S/C11H11F3N2O4/c1-6-4-16(9(19)15-8(6)18)7-2-3-10(5-17,20-7)11(12,13)14/h2-4,7,17H,5H2,1H3,(H,15,18,19)
InChIKey
WQMKABIXAZCYQT-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)-5-(trifluoromethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06708 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07436 156.6
[M+Na]+ 315.05630 168.0
[M-H]- 291.05980 156.2
[M+NH4]+ 310.10090 170.9
[M+K]+ 331.03024 164.6
[M+H-H2O]+ 275.06434 148.2
[M+HCOO]- 337.06528 171.1
[M+CH3COO]- 351.08093 192.9
[M+Na-2H]- 313.04175 160.4
[M]+ 292.06653 154.3
[M]- 292.06763 154.3
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.