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

Formula: C9H9BrO


Canonical SMILES:
BrCC(=O)c1ccc(cc1)C
InChI:
InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3
InChIKey:
KRVGXFREOJHJAX-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-08-30This work is licensed under a Creative Commons Attribution 4.0 International License.

 

mass spectrometry (MS) 
Author: Simone Gräßle1,2

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

2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 20 °C), m/z (%): 212/214 (5/5) [M]+, 119 (100), 91 (21), 65 (6). HRMS–EI (C9H9O79Br) (m/z): [M]+ Calcd 211.9831; Found 211.9832.
Datasets