Perfluorotripentylamine (C15F33N)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42

InChIKey

AQZYBQIAUSKCCS-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-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]+	821.957676	212.2
[M+Na]+	843.939618	215.9
[M-H]-	819.943124	225.6
[M+NH4]+	838.984223	224.9
[M+K]+	859.913558	230.7
[M+H-H2O]+	803.947660	200.2
[M+HCOO]-	865.948601	226.7
[M+CH3COO]-	879.964251	272.3
[M+Na-2H]-	841.925066	216.6
[M]+	820.94985142	207.4
[M]-	820.95094858	207.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

821.957676

212.2

[M+Na]+

843.939618

215.9

[M-H]-

819.943124

225.6

[M+NH4]+

838.984223

224.9

[M+K]+

859.913558

230.7

[M+H-H2O]+

803.947660

200.2

[M+HCOO]-

865.948601

226.7

[M+CH3COO]-

879.964251

272.3

[M+Na-2H]-

841.925066

216.6

[M]+

820.94985142

207.4

[M]-

820.95094858

207.4

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

Perfluorotripentylamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe