PubChemLite - Perfluorodecahydro-2-t-butylnaphthalene (C14F26)

Structural Information

Molecular Formula

SMILES

C12(C(C(C(C(C1(F)F)(C(C(F)(F)F)(C(F)(F)F)C(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)5(18,19)3(16)4(17,7(22,23)6(2,20)21)9(26,27)11(30,31)10(28,29)8(3,24)25

InChIKey

MCVDPFNNIYSXKJ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-[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	206.6
[M+Na]+	684.94772	225.8
[M-H]-	660.95122	193.4
[M+NH4]+	679.99232	223.1
[M+K]+	700.92166	221.1
[M+H-H2O]+	644.95576	195.2
[M+HCOO]-	706.95670	196.4
[M+CH3COO]-	720.97235	256.4
[M+Na-2H]-	682.93317	208.4
[M]+	661.95795	179.2
[M]-	661.95905	179.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.96578

206.6

[M+Na]+

684.94772

225.8

[M-H]-

660.95122

193.4

[M+NH4]+

679.99232

223.1

[M+K]+

700.92166

221.1

[M+H-H2O]+

644.95576

195.2

[M+HCOO]-

706.95670

196.4

[M+CH3COO]-

720.97235

256.4

[M+Na-2H]-

682.93317

208.4

[M]+

661.95795

179.2

[M]-

661.95905

179.2

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

Perfluorodecahydro-2-t-butylnaphthalene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe