An estimate of the fluoro-graphene adsorption capacity for hydrogen is determined by Monte Carlo numerical simulations. Structure and symmetry of the atom arrangements in fluoro-graphene have been estimated by experiments and ab-initio computations. A comparison of effective and ab-initio potential for gas adsorption on fluoro-graphene materials is done before mesoscopic simulation setting up. These data allow to determine by ab-initio calculations the molecular interactions between gas molecules and the functionalized graphene materials or to estimate approximate effective atom-atom potentials to describe them. In this work on the basis of computed and effective interactions we calculated the fluoro-graphene adsorption properties of hydrogen up to high pressure both at room and low temperature. The estimation of hydrogen storage at 77K on fluoro-graphene is around 9 wt%.