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

Formula: C11H16O4S


Canonical SMILES:
CC(COS(=O)(=O)/C=C/c1ccco1)(C)C
InChI:
InChI=1S/C11H16O4S/c1-11(2,3)9-15-16(12,13)8-6-10-5-4-7-14-10/h4-8H,9H2,1-3H3/b8-6+
InChIKey:
GOJGFMQYZBAXMX-SOFGYWHQSA-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): 490 (7) [2M+H]+, 306 (11), 305 (11), 270 (11), 269 (12), 246 (34), 245 (38) [M+H]+, 191 (10), 186 (10), 185 (19), 184 (25), 183 (31), 176 (56), 175 (100), 174 (8), 158 (7), 157 (14), 110 (40), 109 (60). HRMS (EI+, m/z): [M]+ calc. for C11H16O4S 244.0769; found 244.0785.
Datasets