| SpectraBase Spectrum ID |
6nIfjWeEEY |
| Name |
4-CMC MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 198.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C10H12ClNO |
| InChI |
InChI=1S/C17H17Cl2N/c1-20-16-10-9-12(11-5-2-3-6-13(11)16)14-7-4-8-15(18)17(14)19/h2-8,12,16,20H,9-10H2,1H3 |
| InChIKey |
HSBAOQBIJBVXFV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1CCC(C=2C1=CC=CC2)C=1C(=C(Cl)C=CC1)Cl)C |
| 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 |
