Dataset

4,4`-Thiodianiline; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF414301 contains the MS2 mass spectrum of 4,4`-Thiodianiline with the InChIkey ICNFHJVPAJKPHW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
SMILES NC1=CC=C(SC2=CC=C(N)C=C2)C=C1
InChI Key ICNFHJVPAJKPHW-UHFFFAOYSA-N
Molecular Formula C12H12N2S
Exact Mass 216.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF414301
Version
Author
Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 4-(4-aminophenyl)sulfanylaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82374 chebi
    CHEMBL348856 chembl
    49068 surechembl
    8765 pubchem
    6GGU990BQF fdasrs
    DAPHSD CCDC
    Molport-000-643-736 molport
    The data in this table is sourced from UniChem at EBI.