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

Formula: C16H14I2


Canonical SMILES:
Ic1cc2CCc3ccc(CCc1cc2I)cc3
InChI:
InChI=1S/C16H14I2/c17-15-10-14-8-6-12-2-1-11(3-4-12)5-7-13(15)9-16(14)18/h1-4,9-10H,5-8H2
InChIKey:
ZNKKJEBSWNCGDA-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-05-24This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

electron ionisation mass spectrometry (EI-MS) 
Author: Christoph Zippel1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 90 °C, %) m/z = 460 (52) [M+H]+, 356 (14) [M–C8H8] +, 104 (100) [C8H8] +. HRMS (EI, [M]+,  C16H14127I2) calcd.: 459.9180; found: 459.9181.
Datasets