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

Formula: C8H8Br2O2


Canonical SMILES:
COc1cc(Br)c(cc1OC)Br
InChI:
InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey:
ZYCLQXMMFJREPJ-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Author: Lukas Langer1

1. IOC, Karlsruhe Institute of Technology, Deutschland

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 30 °C), m/z (%): 298/296/294 (49/100/55) [M]+, 283/281/279 (15/30/17) [M-CH3]+, 253 (25), 174 (43), 172 (45), 159 (27), 157 (35), 143 (19), 131 (15), 93 (18), 77 (16), 63 (21), 62 (52), 61 (33). HRMS–EI (m/z): [C8H8O279Br81Br]+ calcd 295.8865; found 295.8868.
Datasets