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

Formula: C10H8N2O2


Canonical SMILES:
COc1cc(C#N)c(cc1OC)C#N
InChI:
InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3
InChIKey:
BDSTWWJVHJRQHV-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) 
Author: Lukas Langer1

1. IOC, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 50 °C), m/z (%): 189 (11) [M+H]+, 188 (100) [M]+, 173 (21) [M-CH3]+, 163 (18) [M-CN]+, 148 (5) [M-CN-CH3]+, 145 (14), 117 (9) [C7H2NO+H]+, 102 (9) [C7H2O], 90 (8), 58 (6) HRMS–EI (m/z): [C10H8O2N2]+ calcd 188.0580; found 188.0579.
Datasets