Structure identification and analysis of the suspected chemical precursor of 2-fluorodeschloroketamine and its decomposition products.
Drug testing and analysis June 1, 2022 Xuan Luo, Di Zhang, Qiulian Luo et al. 4 citations
A suspected chemical precursor of the drug 2-fluorodeschloroketamine (2-FDCK), called 2-fluorodeschlorohydroxylimine, was identified using gas chromatography-mass spectrometry and gas chromatography-quadrupole/time-of-flight mass spectrometry, with comparisons to ketamine and its precursor hydroxylimine. The fragmentation pathway under electron ionization was theorized, and decomposition mechanisms in protic solvents were elucidated. In such solvents, the imine group protonates, then traces of water hydrolyze it, yielding a carbon cation that either forms the major product (2'-fluorophenyl)(1″-hydroxycyclopentyl)methanone via classical imine decomposition or undergoes loop expansion to 2-(2'-fluorophenyl)-2-hydroxycyclohexan-1-one. Structures were confirmed by theoretical calculation, GC-MS, NMR, ACDLabs-Structure Elucidator Suite, and diffusion-ordered spectroscopy. Methods for qualitative analysis of the precursor were established.