Mass spectrometrical and quantum‐chemical study of pentafluorophenylhydrazones. (16th August 2020)

• Record Type: Journal Article
• Authors: Bortňák, Dušan; Pecher, Daniel; Végh, Daniel; Breza, Martin; Mikuš, Peter; Milata, Viktor
• Is Part Of: Journal of mass spectrometry. Volume 55:Number 10(2020)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-08-16
• Subjects: defluorination -- heterocyclic -- hydrazone disruption -- hydrazones -- pentafluorophenyhydrazones -- quantum calculations; Mass spectrometry -- Periodicals; 543.65
• DOI: 10.1002/jms.4540
• Languages: English
• ISSNs: 1076-5174

Abstract

Abstract: Twenty‐one pentafluorphenylhydrazones have been analyzed by means of tandem mass spectrometry (ESI MS/MS) conditions to compare their fragmentations with those ones obtained from quantum‐chemical calculations of the hydrazone moiety depending on the substitution from the aldehyde site. The hydrazone N–N bond is disrupted under such conditions, and these results are in accordance with the facts that an electron‐rich particle, such as an anion and or radical in a solution, can cause this disruption and simultaneous defluorination in para‐position of the hydrazone part of the molecule.