CID 12570757

Decafluorocyclohexanone

Structural Information

Molecular Formula

C₆F₁₀O

SMILES

C1(=O)C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6F10O/c7-2(8)1(17)3(9,10)5(13,14)6(15,16)4(2,11)12

InChIKey

YUMDTEARLZOACP-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6-decafluorocyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 778
Patents: 277.97894 Da
Monoisotopic Mass: 3.2
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]+	278.98622	130.8
[M+Na]+	300.96816	146.4
[M-H]-	276.97166	124.9
[M+NH4]+	296.01276	156.3
[M+K]+	316.94210	143.5
[M+H-H2O]+	260.97620	122.9
[M+HCOO]-	322.97714	141.8
[M+CH3COO]-	336.99279	199.1
[M+Na-2H]-	298.95361	135.5
[M]+	277.97839	118.2
[M]-	277.97949	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe