PubChemLite - Hexafluronium (C36H42N2)

Structural Information

Molecular Formula

SMILES

C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2

InChIKey

HDZAQYPYABGTCL-UHFFFAOYSA-N

Compound name

9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium

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]+	503.34208	235.0
[M+Na]+	525.32402	237.9
[M-H]-	501.32752	246.0
[M+NH4]+	520.36862	248.6
[M+K]+	541.29796	219.4
[M+H-H2O]+	485.33206	229.7
[M+HCOO]-	547.33300	251.2
[M+CH3COO]-	561.34865	244.1
[M+Na-2H]-	523.30947	241.1
[M]+	502.33425	236.4
[M]-	502.33535	236.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.34208

235.0

[M+Na]+

525.32402

237.9

[M-H]-

501.32752

246.0

[M+NH4]+

520.36862

248.6

[M+K]+

541.29796

219.4

[M+H-H2O]+

485.33206

229.7

[M+HCOO]-

547.33300

251.2

[M+CH3COO]-

561.34865

244.1

[M+Na-2H]-

523.30947

241.1

[M]+

502.33425

236.4

[M]-

502.33535

236.4

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

Hexafluronium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe