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 A
query on the Sciencebase site regarding whether it
were possible or not to reverse engineer a high-resolution
molecular weight to work out a likely molecule with that
weight with no additional information sent me on a
search for an appropriate tool. Thanks to Jonathan
Goodman at the University of Cambridge just such a tool does indeed exist. The molecular weight
reverse calculator or Molecular Formula Search from Dr
Goodman and his colleagues accepts a Mw value and with
some speed works out a list of molecular formulae that
fit the weight. You can restrict it to C, H, O, and N to
search only organic molecules, but it will look for non-CHON compounds too.
Check the "Chemical Check" box to add some degree of
sense control so that impossible molecules are generally
excluded. The team has created a whole lot of
other
chemical calculators too!
This molecular formula search tool appears
courtesy of
Jonathan Goodman.
You will need a Java-enabled browser to use this calculator.
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