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

Formula: C8H6ClN3


Canonical SMILES:
Nc1nc2ccccc2nc1Cl
InChI:
InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
InChIKey:
NOFJFBHOKPHILH-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-12This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Laura Holzhauer1

1. Institute of Biological and Chemical Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, m/z, 70 eV, 30 °C): 179/181 (100/34), 144 (87), 117 (28), 90 (30). HRMS (C8H6N335Cl1): calcd 179.0250, found 179.0250.
Datasets