Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)CCOP([O-])(=O)OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=VSLFZZKSQNMFBC-UHFFFAOYSA-N

Formula

C12H16F3N2O6P

Mass

372.237

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Quaternary ammonium salts

Intermediate Tree Nodes

Cholines

Direct Parent

Phosphocholines

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phosphocholine - Trifluoromethylbenzene - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Tetraalkylammonium salt - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Alkyl halide - Organooxygen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Amine - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.

External Descriptors

Not available

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