CID 13115943

Dtxsid00880162

Structural Information

Molecular Formula

C₅F₁₀O

SMILES

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

InChI

InChI=1S/C5F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15

InChIKey

ALVFUQVKODCQQB-UHFFFAOYSA-N

Compound name

1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 430
Patents: 265.97894 Da
Monoisotopic Mass: 3.5
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]+	266.98622	141.4
[M+Na]+	288.96816	151.2
[M-H]-	264.97166	130.3
[M+NH4]+	284.01276	157.1
[M+K]+	304.94210	149.2
[M+H-H2O]+	248.97620	130.3
[M+HCOO]-	310.97714	148.0
[M+CH3COO]-	324.99279	196.0
[M+Na-2H]-	286.95361	145.1
[M]+	265.97839	126.2
[M]-	265.97949	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe