CID 13172592

3-trifluoromethylperfluoro-2-pentanone

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

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

InChI

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

InChIKey

ZCMKVKJEDNRBMG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
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]+	316.983016	152.3
[M+Na]+	338.964958	162.3
[M-H]-	314.968464	139.4
[M+NH4]+	334.009563	165.9
[M+K]+	354.938898	159.8
[M+H-H2O]+	298.973000	139.9
[M+HCOO]-	360.973941	155.2
[M+CH3COO]-	374.989591	204.9
[M+Na-2H]-	336.950406	155.4
[M]+	315.97519142	133.8
[M]-	315.97628858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe