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: 29
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]+	313.00810	153.0
[M+Na]+	334.99004	162.4
[M-H]-	310.99354	141.0
[M+NH4]+	330.03464	166.8
[M+K]+	350.96398	160.1
[M+H-H2O]+	294.99808	141.3
[M+HCOO]-	356.99902	156.5
[M+CH3COO]-	371.01467	206.0
[M+Na-2H]-	332.97549	156.3
[M]+	312.00027	136.4
[M]-	312.00137	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe