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

Formula: C19H9F19N2O


Canonical SMILES:
Cc1nc2ccccc2nc1OCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C19H9F19N2O/c1-7-10(40-9-5-3-2-4-8(9)39-7)41-6-11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h2-5H,6H2,1H3
InChIKey:
DBMJWYDGWNZVSX-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-12-09This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Jérôme Klein1

1. Institut of Toxicology and Genetics, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (FAB m/z, Matrix: 3-NBA): 644 (23) [M+2H]+ , 643 (100) [M+H]+, 642 (11) [M]+. HRMS–FAB (m/z): [M+H]+ calcd for C19H10O1N2F19, 643.0490; found, 643.0491.
Datasets