CID 2759264

1,1,1,4,4,4-hexafluoro-2,3-butanedione

Structural Information

Molecular Formula

C₄F₆O₂

SMILES

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

InChI

InChI=1S/C4F6O2/c5-3(6,7)1(11)2(12)4(8,9)10

InChIKey

ZMIDKLPSOSQFSX-UHFFFAOYSA-N

Compound name

1,1,1,4,4,4-hexafluorobutane-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 702
Patents: 193.98026 Da
Monoisotopic Mass: 1.8
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]+	194.98754	126.4
[M+Na]+	216.96948	135.9
[M-H]-	192.97298	119.8
[M+NH4]+	212.01408	145.5
[M+K]+	232.94342	135.1
[M+H-H2O]+	176.97752	118.1
[M+HCOO]-	238.97846	140.3
[M+CH3COO]-	252.99411	181.4
[M+Na-2H]-	214.95493	130.3
[M]+	193.97971	118.1
[M]-	193.98081	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe