CID 73706

Hexafluoroacetylacetone

Structural Information

Molecular Formula

C₅H₂F₆O₂

SMILES

C(C(=O)C(F)(F)F)C(=O)C(F)(F)F

InChI

InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2

InChIKey

QAMFBRUWYYMMGJ-UHFFFAOYSA-N

Compound name

1,1,1,5,5,5-hexafluoropentane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 40
References: 9858
Patents: 207.9959 Da
Monoisotopic Mass: 2.0
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]+	209.00318	131.3
[M+Na]+	230.98512	140.3
[M-H]-	206.98862	124.5
[M+NH4]+	226.02972	149.8
[M+K]+	246.95906	139.3
[M+H-H2O]+	190.99316	122.7
[M+HCOO]-	252.99410	144.9
[M+CH3COO]-	267.00975	184.4
[M+Na-2H]-	228.97057	134.6
[M]+	207.99535	123.4
[M]-	207.99645	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe