CHEBI:135804 - hexafluronium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hexafluronium
ChEBI ID CHEBI:135804
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H42N2
Net Charge +2
Average Mass 502.733
Monoisotopic Mass 502.33370
InChI InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2
InChIKey HDZAQYPYABGTCL-UHFFFAOYSA-N
SMILES [N+](CCCCCC[N+](C)(C)C1C2=C(C=3C1=CC=CC3)C=CC=C2)(C)(C)C4C5=C(C=6C4=CC=CC6)C=CC=C5
ChEBI Ontology
Outgoing hexafluronium (CHEBI:135804) is a quaternary ammonium salt (CHEBI:35273)
Synonyms Sources
hexafluorenium bromide DrugCentral
hexafluorenium dibromide DrugCentral
hexafluronium bromide DrugCentral
Manual Xref Database
1365 DrugCentral
View more database links
Registry Number Type Source
317-52-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017