CID 2782408

756-13-8

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

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

InChI

InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18

InChIKey

RMLFHPWPTXWZNJ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2220
Patents: 315.97574 Da
Monoisotopic Mass: 4.2
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]+	316.98302	180.6
[M+Na]+	338.96496	180.7
[M+NH4]+	334.00956	179.7
[M+K]+	354.93890	179.1
[M-H]-	314.96846	175.0
[M+Na-2H]-	336.95041	178.3
[M]+	315.97519	178.8
[M]-	315.97629	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe