CID 11682386

5-bromo-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H9BrF4N2O2
SMILES
CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)Br
InChI
InChI=1S/C13H9BrF4N2O2/c1-6-10(14)11(21)19-12(22)20(6)5-7-8(13(16,17)18)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,19,21,22)
InChIKey
RDQPTRWUBKZZFJ-UHFFFAOYSA-N
Compound name
5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

379.97836 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98564 174.6
[M+Na]+ 402.96758 189.9
[M-H]- 378.97108 176.5
[M+NH4]+ 398.01218 188.0
[M+K]+ 418.94152 175.3
[M+H-H2O]+ 362.97562 169.9
[M+HCOO]- 424.97656 187.7
[M+CH3COO]- 438.99221 210.8
[M+Na-2H]- 400.95303 177.3
[M]+ 379.97781 189.7
[M]- 379.97891 189.7
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

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