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

Formula: C8H6IN


Canonical SMILES:
Ic1ccc2c(c1)[nH]cc2
InChI:
InChI=1S/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey:
UYFYWUXBZHYQRM-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 30 °C), m/z (%): 243 (100) [M]+, 116 (64) [M - I]+, 89 (35), 69 (29), 63 (23). HRMS–EI (C8H6NI) (m/z): [M]+ calcd 242.9538; found 242.9540.
Datasets