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

Formula: C13H17FO3S


Canonical SMILES:
Fc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI:
InChI=1S/C13H17FO3S/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:
RAAPJZFEUQUCRF-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): 352 (28), 351 (37) [Fragment (201)+Fragment (151)+H]+, 316 (11), 315 (13), 273 (51) [M+H]+, 272 (75), 271 (12), 202 (71), 201 (100), 185 (32), 152 (87), 151 (91), 119 (23). HRMS (EI+, m/z): [M]+ calc. for C13H17O3FS 272.0882; found 272.0886.
Datasets