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

Formula: C13H17ClO3S


Canonical SMILES:
Clc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI:
InChI=1S/C13H17ClO3S/c1-13(2,3)10-17-18(15,16)9-8-11-4-6-12(14)7-5-11/h4-9H,10H2,1-3H3/b9-8+
InChIKey:
VXGBLHDVVUZHMT-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 (APCI, m/z): 580 (10), 578 (7) [2M+H]+, 292 (8), 290 (16), 289/291 (18/10) [M+H]+, 240 (6), 239 (10), 238 (7), 237 (14), 222 (27), 221 (38), 220 (78), 219 (100), 201 (6), 138 (12), 137 (18). HRMS (EI+, m/z): [M]+ calc. for C13H17O3S35Cl 288.0587; found 288.0594. HRMS (EI+, m/z): [M]+ calc. for C13H17O3S37Cl 290.0557; found 290.0574.
Datasets