PubChemLite - 1-hexanamine, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n,n-bis(tridecafluorohexyl)- (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	235.8
[M+Na]+	993.93002	238.2
[M-H]-	969.93352	249.1
[M+NH4]+	988.97462	247.4
[M+K]+	1009.9040	252.8
[M+H-H2O]+	953.93806	224.9
[M+HCOO]-	1015.9390	247.8
[M+CH3COO]-	1029.9547	276.3
[M+Na-2H]-	991.91547	240.8
[M]+	970.94025	228.9
[M]-	970.94135	228.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

971.94808

235.8

[M+Na]+

993.93002

238.2

[M-H]-

969.93352

249.1

[M+NH4]+

988.97462

247.4

[M+K]+

1009.9040

252.8

[M+H-H2O]+

953.93806

224.9

[M+HCOO]-

1015.9390

247.8

[M+CH3COO]-

1029.9547

276.3

[M+Na-2H]-

991.91547

240.8

[M]+

970.94025

228.9

[M]-

970.94135

228.9

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

1-hexanamine, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n,n-bis(tridecafluorohexyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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