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

Formula: C10H13ClO


Canonical SMILES:
CC(c1cc(O)c(cc1Cl)C)C
InChI:
InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
InChIKey:
AFFXNOIULZQAML-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2021-11-25This work is licensed under a Creative Commons Attribution-ShareAlike 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 (EI, 70 eV, 20 °C), m/z (%): 184/186 (60/18) [M]+, 169/171 (100/34), 133 (25), 105 (34), 91 (12), 77 (23), 69 (15). HRMS–EI (C10H13OCl) (m/z): [M]+ Calcd 184.0649; Found 184.0651.
Datasets