PubChemLite - Perfluorodecahydro-1-t-butylnaphthalene (C14F26)

Structural Information

Molecular Formula

SMILES

C12(C(C(C(C(C1(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C14F26/c15-2(1(12(32,33)34,13(35,36)37)14(38,39)40)3(16)4(17,7(22,23)9(26,27)5(2,18)19)8(24,25)11(30,31)10(28,29)6(3,20)21

InChIKey

BCIWNNGCWCBYOU-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]naphthalene

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]+	662.96578	167.2
[M+Na]+	684.94772	167.3
[M+NH4]+	679.99232	167.3
[M+K]+	700.92166	167.4
[M-H]-	660.95122	167.2
[M+Na-2H]-	682.93317	167.4
[M]+	661.95795	167.2
[M]-	661.95905	167.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.96578

167.2

[M+Na]+

684.94772

167.3

[M+NH4]+

679.99232

167.3

[M+K]+

700.92166

167.4

[M-H]-

660.95122

167.2

[M+Na-2H]-

682.93317

167.4

[M]+

661.95795

167.2

[M]-

661.95905

167.2

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

Perfluorodecahydro-1-t-butylnaphthalene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe