Properties of carbon nanotubes and its derivatives in various fields are well known. Disinfection by-products (DBPs) have adverse health effect and causes bladder cancer, early-term miscarriage, and birth defects etc. This paper presents the study of geometrical and electronical properties of DBPs, bromonitrometahne (BNM). We found five different conformers of the same energy. All have approximately same stability based on energy parameter. We calculated vibrational spectra, with no imaginary frequencies. The adsorption of BNM on carbon nanotubes shows only physisorption. There is no chemical bond formed between the surface of carbon nano-tubes and bromonitrometahne.