Octafluoroadipic acid

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Systematic / IUPAC Name: 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid

ID: Reference12396

Other Names: Perfluoroadipic acid;
Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-;
Hexanedioic acid, octafluoro-;
Octafluorohexanedioic acid

Formula: C6H2F8O4

Class: Perfluorinated Hydrocarbons

Spectral Data

Octafluoroadipic 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
No. of Spectral Trees 1
No. of Spectra 496
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2023 3:11:05 PM
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Identificators

InChI InChI=1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)
InChI Key AXRSOGFYDSXLQX-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O
CAS 336083
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Other Names Perfluoroadipic acid;
Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-;
Hexanedioic acid, octafluoro-;
Octafluorohexanedioic acid

In Other Databases

PubChem 67640
ChemIDPlus 000336083
ChemSpider 60959
ChEMBL CHEMBL1741942