Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	54035
Common Name:	2-chlorooxirane
Systematic Name:	2-chlorooxirane
Synonyms:	1-Chlorooxirane; 2-Chlorooxirane; Chloroepoxyethane; Chloroethylene oxide; Chlorooxirane; Monochloroethylene oxide [PubChem Synonyms]
Exact Mass:	77.9872 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C2H3ClO
InChIKey:	WBNCHVFLFSFIGK-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Epoxides [C0000159]
ClassyFire subclass:	Epoxides [C0000159]
ClassyFire direct parent:	Aliphatic heteromonocyclic compounds
SMILES:	C1C(Cl)O1
Studies:	-

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External database links:

PubChem CID:	24472
CHEBI ID:	29129
Plant Metabolite Hub(Pmhub):	MS000027805

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y