CID 2776061

147874-76-8

Structural Information

Molecular Formula

C₁₀H₂F₁₆O₂

SMILES

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

InChI

InChI=1S/C10H2F16O2/c11-4(12,2(27)1-3(28)5(13,14)15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H2

InChIKey

ZFNFUONJWJUELL-UHFFFAOYSA-N

Compound name

1,1,1,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 457.97992 Da
Monoisotopic Mass: 5.4
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]+	458.987196	160.8
[M+Na]+	480.969138	168.5
[M-H]-	456.972644	168.9
[M+NH4]+	476.013743	172.3
[M+K]+	496.943078	174.8
[M+H-H2O]+	440.977180	153.2
[M+HCOO]-	502.978121	178.8
[M+CH3COO]-	516.993771	230.1
[M+Na-2H]-	478.954586	161.4
[M]+	457.97937142	159.2
[M]-	457.98046858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.