CID 22002866

1,1,1,2,2,3,3,4,4-nonafluoroundecane

Structural Information

Molecular Formula

C₁₁H₁₅F₉

SMILES

CCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H15F9/c1-2-3-4-5-6-7-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-7H2,1H3

InChIKey

NKYOHYCHDHBHKM-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4-nonafluoroundecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 318.103 Da
Monoisotopic Mass: 6.8
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]+	319.11028	166.0
[M+Na]+	341.09222	173.4
[M-H]-	317.09572	154.9
[M+NH4]+	336.13682	180.1
[M+K]+	357.06616	169.9
[M+H-H2O]+	301.10026	154.5
[M+HCOO]-	363.10120	172.3
[M+CH3COO]-	377.11685	209.5
[M+Na-2H]-	339.07767	168.1
[M]+	318.10245	154.5
[M]-	318.10355	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe