Dataset

2-ClPFPECA-0-2

This MassBank record with Accession MSBNK-Eawag-EQ01166154 contains the MS2 mass spectrum of 2-ClPFPECA-0-2 with the InChIkey JGRBOYAJYKVCOB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11HClF20O5/c12-3(15,6(18,19)20)9(27,28)37-11(31,32)5(17,8(24,25)26)36-10(29,30)4(16,7(21,22)23)35-2(13,14)1(33)34/h(H,33,34)
SMILES C(=O)(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)O
InChI Key JGRBOYAJYKVCOB-UHFFFAOYSA-N
Molecular Formula C11HClF20O5
Exact Mass 627.919 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-EQ01166154
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:02:26.134959
MetadataModified 2025-02-09T10:02:26.308921
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
102331873 PubChem
The data in this table is sourced from UniChem at EBI.