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2-(2,4,5-Trichlorophenoxy)propanoic acid
SpectraBase Compound ID Khgx5KBIz5u
InChI InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
InChIKey ZLSWBLPERHFHIS-UHFFFAOYSA-N
Mol Weight 269.51 g/mol
Molecular Formula C9H7Cl3O3
Exact Mass 267.946077 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4Apgx1laISn
Name Fenoprop_neg
CAS Registry Number 93-72-1
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-290.00]
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Formula C9H7Cl3O3
InChI InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
InChIKey ZLSWBLPERHFHIS-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES OC(C(OC1=C(Cl)C=C(C(=C1)Cl)Cl)C)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge -1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD