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

Formula: C10H9BrO4


Canonical SMILES:
BrCC(=O)c1c(cccc1O)OC(=O)C
InChI:
InChI=1S/C10H9BrO4/c1-6(12)15-9-4-2-3-7(13)10(9)8(14)5-11/h2-4,13H,5H2,1H3
InChIKey:
GHBMCQRVMQONSY-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, 50 °C), m/z (%): 272/274 (9/9) [M]+, 230/232 (46/46), 150 (11), 137 (100), 123 (9). HRMS–EI (C10H9O479Br) (m/z): [M]+ Calcd 271.9679; Found 271.9681.
Datasets