Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
SMILES Brc1ccc(cc1)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI Key YBGIIZGNEOJSRF-UHFFFAOYSA-N
Molecular Formula C25H16Br4
Exact Mass 636.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000480
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:28:01.234809
MetadataModified 2024-09-08T01:28:01.234815
MetadataPublished 2023-08-02
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16335345 PubChem: Thomson Pharma
SCHEMBL440244 SureChEMBL
11250692 PubChem
CB72559002 ChemicalBook
DTXSID00460044 EPA CompTox Dashboard
J951.410D Nikkaji
TAHGAK CCDC
ZINC000150363016 ZINC
The data in this table is sourced from UniChem at EBI.