Dataset

2-(Thiocyanomethylthio)benzothiazole; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016673 contains the MS2 mass spectrum of 2-(Thiocyanomethylthio)benzothiazole with the InChIkey TUBQDCKAWGHZPF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
SMILES C1=CC=C2C(=C1)N=C(S2)SCSC#N
InChI Key TUBQDCKAWGHZPF-UHFFFAOYSA-N
Molecular Formula C9H6N2S3
Exact Mass 237.969 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016673
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MetadataPublished 2023-11-10
Related Molecule
  • 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.