Perfluoro-3,6-dioxaheptanoic acid

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Systematic / IUPAC Name: 2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid

ID: Reference12403

Other Names: Nonafluoro-3,6-dioxaheptanoicacid;
2,2-Difluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)acetic acid;
Difluoro[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid;
Nonafluoro-3,6-dioxaheptanoic acid

Formula: C5HF9O4

Class: Perfluorinated Hydrocarbons

Spectral Data

Perfluoro-3,6-dioxaheptanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion; Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 460
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2023 4:08:57 PM
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Identificators

InChI InChI=1S/C5HF9O4/c6-2(7,1(15)16)17-3(8,9)4(10,11)18-5(12,13)14/h(H,15,16)
InChI Key PPWRLPJIHGWGFH-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
CAS 151772586
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Other Names Nonafluoro-3,6-dioxaheptanoicacid;
2,2-Difluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)acetic acid;
Difluoro[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid;
Nonafluoro-3,6-dioxaheptanoic acid

In Other Databases

PubChem 2782393
ChemSpider 2062549