Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Information

molecular Image
InChI InChI=1S/2C16H20N4O2.2CHF3O3S.Cu/c2*1-19(2)16(20(3)4)18-13-8-6-7-11-12(15(21)22-5)9-10-17-14(11)13;2*2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2
SMILES FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.COC(=O)c1ccnc2c1cccc2N=C(N(C)C)N(C)C.COC(=O)c1ccnc2c1cccc2N=C(N(C)C)N(C)C.[Cu+2]
InChI Key FCSSWXJXSKXOJQ-UHFFFAOYSA-L
Molecular Formula C34H40CuF6N8O10S2
Exact Mass 962.395 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FCSSWXJXSKXOJQ-UHFFFAOYSA-L/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/FCSSWXJXSKXOJQ-UHFFFAOYSA-L/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-10
Related Molecule
  • copper;methyl 8-[bis(dimethylamino)methylideneamino]quinoline-4-carboxylate;trifluoromethanesulfonate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.