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

Formula: C15H9BrINO


Canonical SMILES:
Ic1cccnc1Oc1ccc2c(c1Br)cccc2
InChI:
InChI=1S/C15H9BrINO/c16-14-11-5-2-1-4-10(11)7-8-13(14)19-15-12(17)6-3-9-18-15/h1-9H
InChIKey:
HEJRWAHGCHPOOZ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-10-16This work is licensed under a Creative Commons Attribution 4.0 International License.

 

mass spectrometry (MS) 
Author: Simone Gräßle1,2

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

2. Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (ESI), m/z (%): 426/428 (90/88) [M+H]+, 348 (14), 300/302 (72/70), 290 (14), 274 (75), 254 (35), 222 (100), 128 (10), 102 (13). HRMS-ESI (C15H9BrINO) (m/z): [M+H]+ Calcd 425.8990; Found 425.8984.
Datasets