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
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 |