Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/C23H18F3N3O3/c24-23(25,26)15-8-9-16-17(11-15)20-19(32-22(16)30)7-4-10-31-13-18-21(20)29(28-27-18)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2
SMILES O=c1oc2CCCOCc3c(-c2c2c1ccc(c2)C(F)(F)F)n(nn3)Cc1ccccc1
InChI Key CJPBTJOQGUOURO-UHFFFAOYSA-N
Molecular Formula C23H18F3N3O3
Exact Mass 441.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CJPBTJOQGUOURO-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/CJPBTJOQGUOURO-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 3-benzyl-18-(trifluoromethyl)-8,13-dioxa-3,4,5-triazatetracyclo[10.8.0.02,6.015,20]icosa-1(12),2(6),4,15(20),16,18-hexaen-14-one
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301078 PubChem
    The data in this table is sourced from UniChem at EBI.