This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C12H12N2S


Canonical SMILES:
CSc1ccc(cc1)/N=C/c1ccc[nH]1
InChI:
InChI=1S/C12H12N2S/c1-15-12-6-4-10(5-7-12)14-9-11-3-2-8-13-11/h2-9,13H,1H3/b14-9+
InChIKey:
KYQMJVXFEUZCLO-NTEUORMPSA-N
Exact Mass:
Crosslinks:   


Published on 2024-04-17This work is licensed under a Creative Commons Attribution 4.0 International License.

 

electron ionisation mass spectrometry (EI-MS) 
Author: Valentina Ferraro1

1. IOC, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 60°C), m/z (%): 216 (100) [M]+, 215 (72), 201 (27), 200 (12), 168 (19), 108 (5). HRMS–EI (m/z): [M]+ calcd for C12H12N2S, 216.0716; found, 216.0717.
Datasets