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

Formula: C13H17BrO3S


Canonical SMILES:
Brc1ccccc1/C=C/S(=O)(=O)OCC(C)(C)C
InChI:
InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)9-8-11-6-4-5-7-12(11)14/h4-9H,10H2,1-3H3/b9-8+
InChIKey:
CAPWWSFATXLFOT-CMDGGOBGSA-N
Exact Mass:
Crosslinks:   


Published on 2024-10-15This work is licensed under a Creative Commons Attribution 4.0 International License.

 

mass spectrometry (MS) 
Authors: Po-Chung Chien1 - Georg Manolikakes2

1. Chemistry, RPTU Kaiserslautern, Germany

2. Department of Chemistry, RPTU Kaiserslautern-Landau, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (ESI+, m/z): 390 (70), 388 (61), 387/389 (100/94) [M+CH3OH+Na]+, 324 (20), 323 (21), 243 (17), 242 (19). HRMS (EI+, m/z): [M]+ calc. for C13H17O3S79Br 332.0082; found 332.0093. HRMS (EI+, m/z): [M]+ calc. for C13H17O3S81Br 334.0061; found 334.0064.
Datasets