Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
SMILES c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChI Key ZZQVVCXWFPGKJD-UHFFFAOYSA-L
Molecular Formula C44H38Br2P2
Exact Mass 788.528 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZZQVVCXWFPGKJD-UHFFFAOYSA-L/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/ZZQVVCXWFPGKJD-UHFFFAOYSA-L/CHMO0000470
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-15
Related Molecule
  • triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dibromide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8522887322 Mcule
    2723797 PubChem
    40817-03-6 ACToR
    596237 eMolecules
    15859200 PubChem: Thomson Pharma
    SCHEMBL39844 SureChEMBL
    CB4497116 ChemicalBook
    The data in this table is sourced from UniChem at EBI.