RefMet Compound Details

RefMet IDRM0027441
MW structure56150 (View MW Metabolite Database details)
RefMet nametrans-Chlordane
Systematic nameTrans-Chlordane
SMILESC1[C@@H]2[C@H]([C@@H]([C@H]1Cl)Cl)[C@]1(C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl)Cl   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass405.797774 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H6Cl8View other entries in RefMet with this formula
InChIInChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1
InChIKeyBIWJNBZANLAXMG-OESJLNMISA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganohalogen compounds
Main ClassVinyl halides
Sub ClassVinyl chlorides
Pubchem CID12303036
ChEBI ID39069
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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