PubChemLite - Perfluoro-1,2-bis(perfluorocyclohexyl)ethane (C14F26)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

IRMGTABUJBVLKA-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane

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	184.1
[M+Na]+	684.94772	204.2
[M-H]-	660.95122	174.0
[M+NH4]+	679.99232	202.2
[M+K]+	700.92166	200.4
[M+H-H2O]+	644.95576	174.0
[M+HCOO]-	706.95670	177.5
[M+CH3COO]-	720.97235	256.9
[M+Na-2H]-	682.93317	185.8
[M]+	661.95795	160.6
[M]-	661.95905	160.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.96578

184.1

[M+Na]+

684.94772

204.2

[M-H]-

660.95122

174.0

[M+NH4]+

679.99232

202.2

[M+K]+

700.92166

200.4

[M+H-H2O]+

644.95576

174.0

[M+HCOO]-

706.95670

177.5

[M+CH3COO]-

720.97235

256.9

[M+Na-2H]-

682.93317

185.8

[M]+

661.95795

160.6

[M]-

661.95905

160.6

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

Perfluoro-1,2-bis(perfluorocyclohexyl)ethane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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