University of Warwick crest Dr. Mark P. Barrow: Research in mass spectrometry

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Double bond equivalents and hydrogen deficiency calculations

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This page allows you to calculate the number of double bond equivalents (DBE), or rings plus double bonds, and the hydrogen deficiency, Z, for an organic molecule. If performing the calculation for an ion generated via electrospray ionization, as opposed to for a neutral molecule, remember to add or remove hydrogen atoms to simulate protonation/deprotonation as appropriate.

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Parameters:

Empirical formula:

C H N O S


Results:

Double bond equivalents:

Z ("hydrogen deficiency"):