| SpectraBase Spectrum ID |
DozBrctdXcG |
| Name |
o-Chloro-benzylidenemalodinitrile |
| CAS Registry Number |
2698-41-1 |
| Classification |
Tear gas |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
188.014125869 u |
| Formula |
C10H5ClN2 |
| InChI |
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H |
| InChIKey |
JJNZXLAFIPKXIG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
188.617 g/mol |
| Nominal Mass |
188 u |
| Quality |
1000 |
| Retention Index |
1496 |
| SMILES |
C=1(C(=CC=CC1)Cl)C=C(C#N)C#N |
| SPLASH |
splash10-0udi-2900000000-b88176a2a591e40cd853 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Alonitrile
CS
(2-Chlorobenzylidene)malononitrile
2-Chlorobmn
2-[(2-Chlorophenyl)methylidene]propanedinitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021680 |
