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

Formula: C6H4N2O3


Canonical SMILES:
O=Nc1ccc(cc1)[N+](=O)[O-]
InChI:
InChI=1S/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H
InChIKey:
IDZTUECABAHWLE-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2019-04-09This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Authors: Sylvain Grosjean1 - Patrick Hodapp1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
EI (m/z, 70 eV, 70 °C): 152 (100) [M]+, 136 (1) [M–O]+, 122 (45) [M–NO]+, 106 (7) [M–NO2]+, 76 (84) [M–NO–NO2]+. HRMS–EI (m/z): [M]+ Calcd. for C6H4N2O3 152.0222; Found. 152.0216.
Datasets