Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H21BrN.ClH/c1-24-12-10-19(11-13-24)21-14-16-2-6-18(21)7-3-17-5-9-20(8-4-16)22(23)15-17;/h2,5-6,9-15H,3-4,7-8H2,1H3;1H/q+1;/p-1
SMILES	C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)c(c1)Br.[Cl-]
InChI Key	HAUKGWOQLXZEJP-UHFFFAOYSA-M
Molecular Formula	C22H21BrClN
Exact Mass	414.766 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HAUKGWOQLXZEJP-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HAUKGWOQLXZEJP-UHFFFAOYSA-M/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:27:12.492337
MetadataModified	2024-09-08T01:27:12.492343
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168433123	PubChem
The data in this table is sourced from UniChem at EBI.