| SpectraBase Spectrum ID |
8g2L6Sx7s8E |
| Name |
5-F-PCN MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] [90.00-390.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H22FN3O |
| InChI |
InChI=1S/C23H22FN3O/c24-12-4-1-5-14-27-16-20(19-15-25-13-11-22(19)27)23(28)26-21-10-6-8-17-7-2-3-9-18(17)21/h2-3,6-11,13,15-16H,1,4-5,12,14H2,(H,26,28) |
| InChIKey |
BRRZRRZUERBDQL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=C(N(C1)CCCCCF)C=CN=C2)=O)C1=C2C(=CC=C1)C=CC=C2 |
| 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 |
