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

Formula: C7H6BrNO3


Canonical SMILES:
[O-][N+](=O)c1cc(O)c(cc1C)Br
InChI:
InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3
InChIKey:
UNDCYNWWVCTFES-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 30 °C), m/z (%): 231 (16) [M]+, 181 (44), 131 (41), 119 (15), 100 (10), 69 (100). HRMS–EI (C7H6ON79Br) (m/z): [M]+ calcd 230.9526; found 230.9524.
Datasets