5-Bromo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione
3609
Reference
5-Bromo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione Structure
Systematic / IUPAC Name: 5-Bromo-7-(trifluoromethyl)-1,4-dihydro-2,3-quinoxalinedione
ID: Reference3609
Other Names: 2,3-Quinoxalinedione, 5-bromo-1,4-dihydro-7-(trifluoromethyl)-
Formula: C9H4BrF3N2O2
Spectral Data
5-Bromo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 365 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/15/2016 8:31:09 AM |
Identificators
| InChI | InChI=1S/C9H4BrF3N2O2/c10-4-1-3(9(11,12)13)2-5-6(4)15-8(17)7(16)14-5/h1-2H,(H,14,16)(H,15,17) |
| InChI Key | XRZJFNLLFBTUGL-UHFFFAOYSA-N |
| Canonical SMILES | C1=C(C=C(C2=C1NC(=O)C(=O)N2)Br)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | 2,3-Quinoxalinedione, 5-bromo-1,4-dihydro-7-(trifluoromethyl)- |
In Other Databases
| ChEMBL | CHEMBL136638 |
| ChemSpider | 2080159 |
| PubChem | 2801447 |