Perfluorotridecanoic acid (PFTrDA)

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Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentacosafluorotridecanoic acid

ID: Reference2693

Other Names: Pentacosafluorotridecanoic acid;
Perfluorotridecanoic acid

Formula: C13HF25O2

Class: Extractables/Leachables Perfluorinated Hydrocarbons Textile Chemicals/Auxiliary/Dyes

Spectral Data

Perfluorotridecanoic acid (PFTrDA) 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 with FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 576
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/27/2018 8:43:49 AM
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Identificators

InChI InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)
InChI Key LVDGGZAZAYHXEY-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 72629948
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Other Names Pentacosafluorotridecanoic acid;
Perfluorotridecanoic acid

In Other Databases

ChEMBL CHEMBL2447939
ChemSpider 2285907
ChemIDPlus 072629948
PubChem 3018355