| SpectraBase Spectrum ID |
Fa5q1P7QvtO |
| Name |
3-((4-(4-Chlorophenyl)-7-fluoroquinolin-3-yl)sulfonyl)benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H12ClFN2O2S |
| InChI |
InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H |
| InChIKey |
BXQVEFQXOWJFLQ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jmedchem.6b01858 |
| Molecular Weight |
422.861 g/mol |
| Reported Formula |
C22H12O2N2ClFS |
| SMILES |
c1c(cc2c(c1)c(c(cn2)S(c1cccc(c1)C#N)(=O)=O)-c1ccc(cc1)Cl)F |
| SPLASH |
splash10-00di-0152900000-182b6661bf220a86b178 |
| Source of Spectrum |
AF-60-2480-25 |
| Wiley ID |
1865622 |
