CID 163198790

N-(2-oxoethyl)perfluorooctanamide

Structural Information

Molecular Formula

C₁₀H₄F₁₅NO₂

SMILES

C(C=O)NC(=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/C10H4F15NO2/c11-4(12,3(28)26-1-2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1H2,(H,26,28)

InChIKey

VCWMBPUCYNETON-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-oxoethyl)octanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 455.00024 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]+	456.007516	160.7
[M+Na]+	477.989458	168.8
[M-H]-	453.992964	169.4
[M+NH4]+	473.034063	170.0
[M+K]+	493.963398	173.6
[M+H-H2O]+	437.997500	151.5
[M+HCOO]-	499.998441	179.4
[M+CH3COO]-	514.014091	231.1
[M+Na-2H]-	475.974906	160.4
[M]+	454.99969142	157.6
[M]-	455.00078858	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.