Bromadiolone

enlarge

Systematic / IUPAC Name: 3-{3-[4-(4-Bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl}-4-hydroxychromen-2-one

ID: Reference1579

Other Names: Boldo;
Bromodiolone;
Bromone;
Canadien 2000;
Contrac ; more

Formula: C30H23BrO4

Class: Pesticides/Herbicides

Spectral Data

Bromadiolone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 11:39:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2
InChI Key OWNRRUFOJXFKCU-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O
CAS 28772567
Splash
Other Names Boldo;
Bromodiolone;
Bromone;
Canadien 2000;
Contrac;
Maki;
Ratimus;
Super-caid;
Super-rozol;
Temus;
3-{α-[p-(p-Bromophenyl)-β-hydroxyphenethyl]benzyl}-4-hydroxycoumarin ;
Coumarin, 3-{α-[p-(p-bromophenyl)-β-hydroxyphenethyl]benzyl}-4-hydroxy-

In Other Databases

KEGG C18596
Wikipedia Bromadiolone
ChEMBL CHEMBL1165553
ChemSpider 10606098
PubChem 54680085