CID 2748487

N,n-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Structural Information

Molecular Formula

C₁₃H₁₀F₁₇NO

SMILES

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

InChI

InChI=1S/C13H10F17NO/c1-3-31(4-2)5(32)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3-4H2,1-2H3

InChIKey

UQZCRDOKLCDJNE-UHFFFAOYSA-N

Compound name

N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 519.0491 Da
Monoisotopic Mass: 6.3
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]+	520.056376	180.0
[M+Na]+	542.038318	188.3
[M-H]-	518.041824	190.0
[M+NH4]+	537.082923	192.5
[M+K]+	558.012258	196.5
[M+H-H2O]+	502.046360	170.6
[M+HCOO]-	564.047301	196.4
[M+CH3COO]-	578.062951	246.1
[M+Na-2H]-	540.023766	179.7
[M]+	519.04855142	177.7
[M]-	519.04964858	177.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.