1,2,5,6,9,10-Hexabromocyclododecane (HBCD)

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Systematic / IUPAC Name: 1,2,5,6,9,10-Hexabromocyclododecane

ID: Reference1423

Other Names: Cyclododecane, 1,2,5,6,9,10-hexabromo-;
HBCD

Formula: C12H18Br6

Class: Industrial Chemicals

Spectral Data

1,2,5,6,9,10-Hexabromocyclododecane (HBCD) 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 1:53:39 PM
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Identificators

InChI InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
InChI Key DEIGXXQKDWULML-UHFFFAOYSA-N
Canonical SMILES C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
CAS 3194556
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Other Names Cyclododecane, 1,2,5,6,9,10-hexabromo-;
HBCD

In Other Databases

Wikipedia Hexabromocyclododecane
ChEMBL CHEMBL375298
ChemIDPlus 003194556
PubChem 18529
ChemSpider 17499