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

Formula: C12H12BrNO


Canonical SMILES:
Brc1cc2cc[nH]c2cc1OCC1CC1
InChI:
InChI=1S/C12H12BrNO/c13-10-5-9-3-4-14-11(9)6-12(10)15-7-8-1-2-8/h3-6,8,14H,1-2,7H2
InChIKey:
KIRAXAMYQAXCQC-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 70 °C), m/z (%): 267/265 (36/37) [M]+, 213/211 (100/98) [M - cyclopropyl methyl]+, 184 (15), 182 (16), 123 (17), 103 (32), 76 (16), 55 (78) [cyclopropyl methyl]+. HRMS–EI (C12H12NO79Br) (m/z): [M]+ calcd 265.0097; found 265.0098.
Datasets