Dataset

Florpyrauxifen-Benzyl

This MassBank record with Accession MSBNK-Eawag-EQ01125603 contains the MS2 mass spectrum of Florpyrauxifen-Benzyl with the InChIkey WNZCDFOXYNRBRB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H14Cl2F2N2O3/c1-28-19-12(21)8-7-11(14(19)23)17-15(24)16(25)13(22)18(26-17)20(27)29-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,25,26)
SMILES COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2F)N)Cl)C(=O)OCC3=CC=CC=C3)Cl
InChI Key WNZCDFOXYNRBRB-UHFFFAOYSA-N
Molecular Formula C20H14Cl2F2N2O3
Exact Mass 438.035 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01125603
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:30:24.565483
MetadataModified 2025-02-09T10:32:16.463982
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70495450 PubChem
DTXSID00894941 EPA CompTox Dashboard
ZINC000168642384 ZINC
133651 ChEBI
CB03352607 ChemicalBook
J3.539.809K Nikkaji
SCHEMBL11022910 SureChEMBL
The data in this table is sourced from UniChem at EBI.