CID 156600033

Ns00114932

Structural Information

Molecular Formula

C₁₉H₂₅F₁₇N

SMILES

CCC[N+](CCC)(CCC)CCC(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/C19H25F17N/c1-4-8-37(9-5-2,10-6-3)11-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-11H2,1-3H3/q+1

InChIKey

LPLOEEPYBVCXIX-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 590.1716 Da
Monoisotopic Mass: 9.1
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]+	591.178876	217.6
[M+Na]+	613.160818	222.6
[M-H]-	589.164324	224.2
[M+NH4]+	608.205423	226.7
[M+K]+	629.134758	231.9
[M+H-H2O]+	573.168860	201.1
[M+HCOO]-	635.169801	238.0
[M+CH3COO]-	649.185451	254.1
[M+Na-2H]-	611.146266	212.2
[M]+	590.17105142	214.9
[M]-	590.17214858	214.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.