Dataset

2-ClPFPECA-0-3

This MassBank record with Accession MSBNK-Eawag-EQ01166253 contains the MS2 mass spectrum of 2-ClPFPECA-0-3 with the InChIkey VWBHFMHYSNPDBL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14HClF26O6/c15-3(18,7(22,23)24)11(34,35)47-14(40,41)6(21,10(31,32)33)46-13(38,39)5(20,9(28,29)30)45-12(36,37)4(19,8(25,26)27)44-2(16,17)1(42)43/h(H,42,43)
SMILES C(=O)(C(OC(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI Key VWBHFMHYSNPDBL-UHFFFAOYSA-N
Molecular Formula C14HClF26O6
Exact Mass 793.905 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01166253
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:59:07.963886
MetadataModified 2025-02-09T09:59:08.147294
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
102331878 PubChem
The data in this table is sourced from UniChem at EBI.