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Bromperidol
SpectraBase Compound ID BeYBFBSczyi
InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChIKey RKLNONIVDFXQRX-UHFFFAOYSA-N
Mol Weight 420.32 g/mol
Molecular Formula C21H23BrFNO2
Exact Mass 419.08962 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID L2juVbdvYNs
Name Bromperidol MS2
CAS Registry Number 10457-90-6
Comments T: ITMS + c ESI d w Full ms2 [email protected] [105.00-435.00]
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Formula C21H23BrFNO2
InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChIKey RKLNONIVDFXQRX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1(CCN(CCCC(=O)C=2C=CC(F)=CC2)CC1)C=1C=CC(Br)=CC1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS