| SpectraBase Spectrum ID |
8H6A8W9QiZM |
| Name |
Flocoumafen |
| CAS Registry Number |
90035-08-8 |
| Classification |
Rodenticide |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
542.170493770 u |
| Formula |
C33H25F3O4 |
| InChI |
InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2 |
| InChIKey |
KKBGNYHHEIAGOH-UHFFFAOYSA-N |
| Ionization Energy |
70 eV |
| Ionization Type |
Negative Chemical Ionization (NCI) |
| Molecular Weight |
542.554 g/mol |
| Nominal Mass |
542 u |
| Quality |
0 |
| SMILES |
OC1=C(C2C=3C(CC(C2)C2=CC=C(C=C2)OCC2=CC=C(C(F)(F)F)C=C2)=CC=CC3)C(OC=2C1=CC=CC2)=O |
| SPLASH |
splash10-001i-0009000000-fffcd6541c6835f01191 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]tetralin-1-yl]chromen-4-one |
| Technique |
DI/MS |
| Wiley ID |
DD2024_001425 |
