CID 425461

20583-66-8

Structural Information

Molecular Formula

C₇H₂F₁₀O₂

SMILES

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

InChI

InChI=1S/C7H2F10O2/c8-4(9,6(13,14)7(15,16)17)2(18)1-3(19)5(10,11)12/h1H2

InChIKey

SUORUQZBFOQDGX-UHFFFAOYSA-N

Compound name

1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 106
Patents: 307.9895 Da
Monoisotopic Mass: 3.4
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]+	308.99678	185.7
[M+Na]+	330.97872	186.0
[M+NH4]+	326.02332	184.6
[M+K]+	346.95266	183.9
[M-H]-	306.98222	177.9
[M+Na-2H]-	328.96417	182.3
[M]+	307.98895	183.2
[M]-	307.99005	183.2

Literature stripe

literature stripe

Patent stripe

patents stripe