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

Formula: C9H6BrNO2


Canonical SMILES:
Brc1cc(C(=O)O)c2c(c1)[nH]cc2
InChI:
InChI=1S/C9H6BrNO2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,(H,12,13)
InChIKey:
LIXZNRVUWPYCNC-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, 110 °C), m/z (%): 241/239 (99/100) [M]+, 224/222 (29/28), 219 (14), 196/194 (15/16), 169 (19), 119 (12), 69 (35). HRMS–EI (C9H6NO279Br) (m/z): [M]+ calcd 238.9576; found 238.9577.
Datasets