Dataset

electrospray ionisation mass spectrometry (ESMS)

dataset for electrospray ionisation mass spectrometry (ESMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(14)10(8)15/h5-7H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1cccc(c1F)F
InChI Key BFCCQFHEIXEEKP-UHFFFAOYSA-N
Molecular Formula C12H15BF2O2
Exact Mass 240.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BFCCQFHEIXEEKP-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/BFCCQFHEIXEEKP-UHFFFAOYSA-N/CHMO0000482
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • 2-(2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    56973143 PubChem
    SCHEMBL2301628 SureChEMBL
    J3.393.728H Nikkaji
    ZINC000199594018 ZINC
    The data in this table is sourced from UniChem at EBI.