Abstract: Based on Compton scattering theory, the incoherent scattering attenuation coefficient on the scattering of LiCl solution was discussed. By using some approximations, the expressions of Compton scattering of LiCl solution were obtained, and they are in agreement with the experiments. Then based on the density functional theory, the Compton scattering of LiCl solution was discussed from the microcosmic. The electronic structures of Li⁺ and Cl^- hydration were obtained in LiCl solution. And the factors, electron number density and electron bound strength, impacting LiCl solution Compton scattering photon relative counts were analyzed. The results show that the factors include the electron number density and the electron bound strength, besides the mass density, attenuation coefficient and solution concentration.