CID 12603809

Methyl pentadecafluoroheptyl ketone

Structural Information

Molecular Formula

C₉H₃F₁₅O

SMILES

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

InChI

InChI=1S/C9H3F15O/c1-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3

InChIKey

LFMZSQGESVNRLL-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 286
Patents: 411.99445 Da
Monoisotopic Mass: 5.1
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]+	413.00173	175.4
[M+Na]+	434.98367	184.8
[M-H]-	410.98717	160.1
[M+NH4]+	430.02827	163.5
[M+K]+	450.95761	181.8
[M+H-H2O]+	394.99171	161.3
[M+HCOO]-	456.99265	174.3
[M+CH3COO]-	471.00830	224.2
[M+Na-2H]-	432.96912	177.7
[M]+	411.99390	153.9
[M]-	411.99500	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe