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

Formula: C11H12ClNO2


Canonical SMILES:
COCCOc1ccc2c(c1)[nH]cc2Cl
InChI:
InChI=1S/C11H12ClNO2/c1-14-4-5-15-8-2-3-9-10(12)7-13-11(9)6-8/h2-3,6-7,13H,4-5H2,1H3
InChIKey:
ABNQQHIZTDQAJQ-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 (%): 227/225 (19/67) [M]+, 169/167 (32/100) [3-Chloro-6-hydroxy-indol]+, 138 (11), 132 (13), 71 (11), 59 (44) [methoxy ethyl]+. HRMS–EI (C11H12NO235Cl) (m/z): [M]+ calcd 225.0551; found 225.0552.
Datasets