CID 15859812

Methyl perfluoroamyl ketone

Structural Information

Molecular Formula

C₇H₃F₁₁O

SMILES

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

InChI

InChI=1S/C7H3F11O/c1-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H3

InChIKey

HWGNOHFZECDUBX-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 27
Patents: 312.00082 Da
Monoisotopic Mass: 3.7
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]+	313.008096	153.0
[M+Na]+	334.990038	162.4
[M-H]-	310.993544	141.0
[M+NH4]+	330.034643	166.8
[M+K]+	350.963978	160.1
[M+H-H2O]+	294.998080	141.3
[M+HCOO]-	356.999021	156.5
[M+CH3COO]-	371.014671	206.0
[M+Na-2H]-	332.975486	156.3
[M]+	312.00027142	136.4
[M]-	312.00136858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe