This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C22H12N2


Canonical SMILES:
N#Cc1cc2C3c4ccccc4C(c2cc1C#N)c1c3cccc1
InChI:
InChI=1S/C22H12N2/c23-11-13-9-19-20(10-14(13)12-24)22-16-6-2-1-5-15(16)21(19)17-7-3-4-8-18(17)22/h1-10,21-22H
InChIKey:
PJTVVOXJBUJBDE-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Authors: Lukas Langer1 - Martin Nieger2,3

1. IOC, Karlsruhe Institute of Technology, Deutschland

2. University of Helsinki, Finland

3. Chemisty, University of Helsinki, Finland

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 130°C), m/z (%): 305 (23) [M]+, 304 (100) [M]+, 303 (71), 302 (30), 279 (10) [M-CN+H]+, 278 (23) [M-CN]+, 277 (17), 275 (10). HRMS–EI (m/z): [C22H12N2]+ calcd for 304.0995; found 304.0995.