| SpectraBase Spectrum ID |
41iXVPKfx7x |
| Name |
4-F-alpha-PHP MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H14FO |
| InChI |
InChI=1S/C14H11ClFN2/c1-18-14(10-4-2-3-5-12(10)16)11-8-9(15)6-7-13(11)17/h2-8,17H,1H3/q+1/b17-13?,18-14- |
| InChIKey |
BOIRFKKREHVJQY-XIAPKXPQSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N=C1C(=C[C+](C=C1)Cl)\C(=N/C)C=1C=CC=CC1F |
| 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 |
ms3 |
| Technique |
ITMS |
