2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile
4254
Reference
2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile Structure
Systematic / IUPAC Name: [(5-Chloro-2-methylphenyl)amino](phenyl)acetonitrile
ID: Reference4254
Other Names: Benzeneacetonitrile, α-[(5-chloro-2-methylphenyl)amino]-
Formula: C15H13ClN2
Spectral Data
2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 105 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/17/2016 7:20:21 AM |
Identificators
| InChI | InChI=1S/C15H13ClN2/c1-11-7-8-13(16)9-14(11)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,18H,1H3 |
| InChI Key | UCFRKNNIFNAUOS-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C=C(C=C1)Cl)NC(C#N)C2=CC=CC=C2 |
| CAS | |
| Splash | |
| Other Names | Benzeneacetonitrile, α-[(5-chloro-2-methylphenyl)amino]- |
In Other Databases
| ChEMBL | CHEMBL1720029 |
| PubChem | 2732646 |
| ChemSpider | 2014460 |