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

Formula: C17H9F4N3


Canonical SMILES:
Fc1ccc(cc1)c1cnc2n1c1ccccc1nc2C(F)(F)F
InChI:
InChI=1S/C17H9F4N3/c18-11-7-5-10(6-8-11)14-9-22-16-15(17(19,20)21)23-12-3-1-2-4-13(12)24(14)16/h1-9H
InChIKey:
QRCGOTOQYUXBIH-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-14This work is licensed under a Creative Commons Attribution 4.0 International License.

 

mass spectrometry (MS) 
Authors: Kameswara Sishta1 - Laura Holzhauer1

1. Institute of Biological and Chemical Systems - Functional Molecular Systems (IBCS-FMS), Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 90 °C), m/z (%): 331 [M]+ (100), 330 (16), 310 (15), 102 (11), 84 (13), 69 (19). HRMS (C17H9N3F4): calcd 331.0727, found 331.0726.
Datasets