Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	44826
Common Name:	Carbon tetrachloride
Systematic Name:	tetrachloromethane
RefMet Name:	Carbon tetrachloride
Synonyms:	[PubChem Synonyms]
Exact Mass:	151.8754 (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:	CCl4
InChIKey:	VZGDMQKNWNREIO-UHFFFAOYSA-N
ClassyFire superclass:	Organohalogen compounds [C0000267]
ClassyFire class:	Alkyl halides [C0002867]
ClassyFire subclass:	Halomethanes [C0004157]
ClassyFire direct parent:	Halomethanes [C0004157]
Massbank MS spectra:	View MS spectra
SMILES:	C(Cl)(Cl)(Cl)Cl
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5943
CHEBI ID:	27385
HMDB ID:	HMDB0031330
KEGG ID:	C07561
Chemspider ID:	5730
MetaCyc ID:	CPD-842
EPA CompTox DB:	DTXCID20250
Plant Metabolite Hub(Pmhub):	MS000019591

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