Brodifacoum

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

ID: Reference2509

Other Names: Klerat;
Talon;
Volid;
4-Hydroxy-3-[3-(4'-bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl]coumarin;
3-{3-[4'-Bromo(1,1'-biphenyl)-4-yl]-1,2,3,4-tetrahydro-1-naphthalenyl}-4-hydroxy-2H-1-benzopyran-2-one ; more

Formula: C31H23BrO3

Class: Pesticides/Herbicides

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive HF Orbitrap
No. of Spectral Trees 1
No. of Spectra 68
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/23/2015 2:34:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
InChI Key VEUZZDOCACZPRY-UHFFFAOYSA-N
Canonical SMILES C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br
CAS 56073100
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Other Names Klerat;
Talon;
Volid;
4-Hydroxy-3-[3-(4'-bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl]coumarin;
3-{3-[4'-Bromo(1,1'-biphenyl)-4-yl]-1,2,3,4-tetrahydro-1-naphthalenyl}-4-hydroxy-2H-1-benzopyran-2-one;
3-{3-[4-(4-Bromophenyl)phenyl]tetralin-1-yl}-2-hydroxy-chromen-4-one;
BFC

In Other Databases

ChEMBL CHEMBL233451
Wikipedia Brodifacoum
KEGG C18694
PubChem 54680676
ChemSpider 10444663