Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C42H56N10.2C2H3N.2Cu.2F6P/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;2*1-2-3;;;2*1-7(2,3,4,5)6/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H3;;;;/q;;;;;2*-1
SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.CC#N.CC#N.[Cu].[Cu]
InChI Key LJKLVVBUTBZIMR-UHFFFAOYSA-N
Molecular Formula C46H62Cu2F12N12P2-2
Exact Mass 1200.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LJKLVVBUTBZIMR-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/LJKLVVBUTBZIMR-UHFFFAOYSA-N/CHMO0000485
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-13
Related Molecule
  • acetonitrile;2-[bis(3-tert-butylpyrazol-1-yl)methyl]-6-[2-[6-[bis(3-tert-butylpyrazol-1-yl)methyl]pyridin-2-yl]ethyl]pyridine;copper;dihexafluorophosphate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168008339 PubChem
    The data in this table is sourced from UniChem at EBI.