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

Formula: C9H10O3S


Canonical SMILES:
COS(=O)(=O)/C=C/c1ccccc1
InChI:
InChI=1S/C9H10O3S/c1-12-13(10,11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKey:
FSMDHYUPDKNFEI-BQYQJAHWSA-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): 202 (5), 201 (9), 200 (73), 199 (100) [M+H]+, 104 (11), 103 (16). Impurties: 232 (8), 231 (9). HRMS (EI+, m/z): [M]+ calc. for C9H10O3S 198.0351; found 198.0360.
Datasets