CID 9874

Diethyl hexafluoroglutarate

Structural Information

Molecular Formula

C₉H₁₀F₆O₄

SMILES

CCOC(=O)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F

InChI

InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3

InChIKey

MSDPXVBLFJODJO-UHFFFAOYSA-N

Compound name

diethyl 2,2,3,3,4,4-hexafluoropentanedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 90
Patents: 296.04834 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.05562	178.4
[M+Na]+	319.03756	180.0
[M+NH4]+	314.08216	178.2
[M+K]+	335.01150	178.2
[M-H]-	295.04106	168.0
[M+Na-2H]-	317.02301	174.9
[M]+	296.04779	175.1
[M]-	296.04889	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe