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

Formula: C12H11BrO5


Canonical SMILES:
BrCC(=O)c1c(cccc1OC(=O)C)OC(=O)C
InChI:
InChI=1S/C12H11BrO5/c1-7(14)17-10-4-3-5-11(18-8(2)15)12(10)9(16)6-13/h3-5H,6H2,1-2H3
InChIKey:
MNINUXVBVLVPGN-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 (FAB, 3-NBA), m/z (%): 315/317 (19/18) [M+H]+, 307 (32), 289 (17), 273/275 (11/10), 195 (10), 154 (100), 137 (79), 124 (11), 120 (13), 107 (24), 89 (19). HRMS–FAB (C12H12O579Br) (m/z): [M+H]+ Calcd 314.9863; Found 314.9862.
Datasets