CID 102100707

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-n-(2-hydroxypropyl)octanamide

Structural Information

Molecular Formula

C₁₁H₈F₁₅NO₂

SMILES

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

InChI

InChI=1S/C11H8F15NO2/c1-3(28)2-27-4(29)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h3,28H,2H2,1H3,(H,27,29)

InChIKey

DCJKBXFEWSPSGU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 471.03156 Da
Monoisotopic Mass: 4.4
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]+	472.038836	166.6
[M+Na]+	494.020778	173.6
[M-H]-	470.024284	175.4
[M+NH4]+	489.065383	174.9
[M+K]+	509.994718	179.5
[M+H-H2O]+	454.028820	156.7
[M+HCOO]-	516.029761	180.8
[M+CH3COO]-	530.045411	233.1
[M+Na-2H]-	492.006226	165.2
[M]+	471.03101142	162.3
[M]-	471.03210858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe