PubChemLite - Perfluorotrihexylamine (C18F39N)

Structural Information

Molecular Formula

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(N(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18F39N/c19-1(20,7(31,32)13(43,44)45)4(25,26)10(37,38)16(52,53)58(17(54,55)11(39,40)5(27,28)2(21,22)8(33,34)14(46,47)48)18(56,57)12(41,42)6(29,30)3(23,24)9(35,36)15(49,50)51

InChIKey

HDCGZKPLSIIZAZ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hexan-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]+	971.94808	152.5
[M+Na]+	993.93002	152.5
[M+NH4]+	988.97462	152.5
[M+K]+	1009.9040	152.5
[M-H]-	969.93352	152.5
[M+Na-2H]-	991.91547	152.5
[M]+	970.94025	152.5
[M]-	970.94135	152.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

971.94808

152.5

[M+Na]+

993.93002

152.5

[M+NH4]+

988.97462

152.5

[M+K]+

1009.9040

152.5

[M-H]-

969.93352

152.5

[M+Na-2H]-

991.91547

152.5

[M]+

970.94025

152.5

[M]-

970.94135

152.5

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

Perfluorotrihexylamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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