Dataset

2-ClPFPECA-1-2

This MassBank record with Accession MSBNK-Eawag-EQ01166453 contains the MS2 mass spectrum of 2-ClPFPECA-1-2 with the InChIkey WSUKXTDODKPVPK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13HClF24O6/c14-3(17,6(20,21)22)10(32,33)43-13(38,9(29,30)31)44-12(36,37)5(19,8(26,27)28)42-11(34,35)4(18,7(23,24)25)41-2(15,16)1(39)40/h(H,39,40)
SMILES C(=O)(C(OC(C(OC(C(OC(C(F)(F)F)(OC(C(C(F)(F)F)(F)Cl)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI Key WSUKXTDODKPVPK-UHFFFAOYSA-N
Molecular Formula C13HClF24O6
Exact Mass 743.908 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-EQ01166453
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:12.142372
MetadataModified 2025-02-09T09:54:12.359908
MetadataPublished 2024-05-15
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
163325035 PubChem
The data in this table is sourced from UniChem at EBI.