PubChemLite - 4,5,5,5-tetrafluoro-4-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}-n-propylpentan-1-amine (C17H14F23NO3)

Structural Information

Molecular Formula

SMILES

CCCNCCCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F

InChI

InChI=1S/C17H14F23NO3/c1-2-5-41-6-3-4-7(18,11(23,24)25)42-16(37,38)9(21,13(29,30)31)44-17(39,40)10(22,14(32,33)34)43-15(35,36)8(19,20)12(26,27)28/h41H,2-6H2,1H3

InChIKey

NCAHMWXMGORZAL-UHFFFAOYSA-N

Compound name

4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-N-propylpentan-1-amine

Related CIDs

2D Structure

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]+	718.06795	198.3
[M+Na]+	740.04989	201.7
[M-H]-	716.05339	209.0
[M+NH4]+	735.09449	209.7
[M+K]+	756.02383	214.7
[M+H-H2O]+	700.05793	184.7
[M+HCOO]-	762.05887	215.0
[M+CH3COO]-	776.07452	266.9
[M+Na-2H]-	738.03534	197.1
[M]+	717.06012	195.4
[M]-	717.06122	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

718.06795

198.3

[M+Na]+

740.04989

201.7

[M-H]-

716.05339

209.0

[M+NH4]+

735.09449

209.7

[M+K]+

756.02383

214.7

[M+H-H2O]+

700.05793

184.7

[M+HCOO]-

762.05887

215.0

[M+CH3COO]-

776.07452

266.9

[M+Na-2H]-

738.03534

197.1

[M]+

717.06012

195.4

[M]-

717.06122

195.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4,5,5,5-tetrafluoro-4-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}-n-propylpentan-1-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe