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

Formula: C16H8Br2FN5


Canonical SMILES:
Fc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cc(c(c2)Br)Br
InChI:
InChI=1S/C16H8Br2FN5/c17-11-5-13-14(6-12(11)18)21-16(7-20-13)24-8-15(22-23-24)9-1-3-10(19)4-2-9/h1-8H
InChIKey:
YIWVXUFWXSUZKW-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, 200 °C), m/z (%): 449 [M]+ (2), 424 (10), 423 (52), 422 (25), 421 (100), 420 (20), 419 (52), 289 (29), 287 (59), 285 (29), 260 (16), 135 (24), 134 (14), 120 (14), 100 (10). HRMS (C16H8N579Br181Br1F1): calcd 448.9105, found 448.9103.
Datasets