Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53621
Common Name:	Fluoroacetaldehyde
Systematic Name:	fluoroacetaldehyde
RefMet Name:	Fluoroacetaldehyde
Synonyms:	fluoroacetaldehyde [PubChem Synonyms]
Exact Mass:	62.0168 (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:	C2H3FO
InChIKey:	YYDWYJJLVYDJLV-UHFFFAOYSA-N
ClassyFire superclass:	Organohalogen compounds [C0000267]
ClassyFire class:	Organofluorides [C0001517]
ClassyFire subclass:	Organofluorides [C0001517]
ClassyFire direct parent:	Aliphatic acyclic compounds
SMILES:	C(C=O)F
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	73766
CHEBI ID:	14272
HMDB ID:	HMDB0252367
KEGG ID:	C15488
MetaCyc ID:	CPD-12708
EPA CompTox DB:	DTXCID1088112
Plant Metabolite Hub(Pmhub):	MS000024624

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