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

Formula: C11H12BrNO3


Canonical SMILES:
Brc1cc(C)c(cc1OCC1CC1)[N+](=O)[O-]
InChI:
InChI=1S/C11H12BrNO3/c1-7-4-9(12)11(5-10(7)13(14)15)16-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKey:
KGOQROKYWCORHX-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, 60 °C), m/z (%): 287/285 (10/10) [M]+, 216 (5), 214 (6), 77 (6), 55 (100) [cyclopropyl methyl]+. HRMS–EI (C11H12O3N79Br) (m/z): [M]+ calcd 284.9995; found 284.9994.
Datasets