Recently, temporary anion states of fluorine substituted benzenes have been probed via photodetachment experiments on oxygen-fluorobenzene anion complexes [O2⋅C6H6−nFn]−, n=0…6. Here, we complement these experiments with a computational characterization. For the ground electronic states, two isomers are identified: The first isomer class shows non-conventional hydrogen bonds, while the second shows carbon-oxygen contacts. For both isomer classes, the electron affinity of the complex is significantly higher than that of either moiety, and the electron affinity increase upon complex formation is studied in detail. Both isomer classes show strong O2−−C6H6−nFn interactions, and the extent of charge donation from O2− to the organic moiety is characterized. Moreover, we characterize charge-transfer excited states of [O2⋅C6H6−nFn]− anion complexes corresponding to neutral O2 bound to C6H6−nFn−. The charge transfer complexes form doublets and quartets, and here we focus on the minimal energy structure of the quartet state and characterize the doublet at the same geometry.