Fluoride in groundwater is caused by the weathering and breakdown of fluoride-containing minerals found in rocks and silt. Fluoride has a strong mitigating effect against tooth caries when the dosage is around 1 mg/L, but greater amounts (>1.5 mg/L) can produce fluorosis and, in severe circumstances, skeletal fluorosis. According to WHO guidelines and the drinking water quality standard BIS-10500, the permitted level of F− in drinking water is 1–1.5 mg/L. The removal of fluoride is explored using FeCl3- and AlCl3-modified Citrus limetta peel as an adsorbent. At a fluoride concentration of 10 mg/L, the batch adsorption investigation focused on variables such as adsorbent dosage, pH, and contact duration. The ideal values for both adsorbents are 3.5 g/L, pH 6, and a contact duration of 3 h. The study’s findings suggest that the maximal fluoride removal rates by FeCl3-activated carbon (FeCl3–AC) and AlCl3-activated carbon (AlCl3–AC) are around 93% and 90.18%, respectively. Langmuir and Freundlich’s isotherms are used to explain the adsorption activity on the adsorbent surface. The Langmuir isotherm model fits the isotherm data better, with a monolayer adsorption capacity of 3.7175 and 3.6350 mg/g fluoride in the case of FeCl3–AC and AlCl3–AC, respectively. Pseudo-first- and pseudo-second-order kinetic models are used in kinetic investigations to understand the reaction rate. Pseudo-second-order kinetics worked well for both adsorbent materials.