CID 16074165

1-[2-bromo-4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-(trifluoromethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H10BrF3N2O4
SMILES
C1=C(C(=O)NC(=O)N1CC(=C(CO)CO)Br)C(F)(F)F
InChI
InChI=1S/C10H10BrF3N2O4/c11-7(5(3-17)4-18)2-16-1-6(10(12,13)14)8(19)15-9(16)20/h1,17-18H,2-4H2,(H,15,19,20)
InChIKey
RHKUDWZSINOFNG-UHFFFAOYSA-N
Compound name
1-[2-bromo-4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.9776 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.98488 166.0
[M+Na]+ 380.96682 177.4
[M-H]- 356.97032 162.6
[M+NH4]+ 376.01142 178.2
[M+K]+ 396.94076 163.7
[M+H-H2O]+ 340.97486 162.8
[M+HCOO]- 402.97580 175.7
[M+CH3COO]- 416.99145 200.1
[M+Na-2H]- 378.95227 167.8
[M]+ 357.97705 179.5
[M]- 357.97815 179.5
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.