PubChemLite - Perfluoroperhydrofluoranthene (C16F26)

Structural Information

Molecular Formula

SMILES

C12(C3(C4(C(C1(C(C(C(C2(C(C(C3(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F)F)(C(C(C(C4(F)F)(F)F)(F)F)(F)F)F)F)F)F

InChI

InChI=1S/C16F26/c17-1-2(18)4(20)5(21,10(29,30)16(41,42)15(39,40)9(4,27)28)3(1,19)8(25,26)14(37,38)12(33,34)6(1,22)11(31,32)13(35,36)7(2,23)24

InChIKey

YEMLBKSPDFVXEO-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,3a,4,4,5,5,6,6,6a,6b,7,7,8,8,9,9,10,10,10a,10b,10c-hexacosafluorofluoranthene

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]+	686.96578	174.6
[M+Na]+	708.94772	198.0
[M-H]-	684.95122	167.1
[M+NH4]+	703.99232	198.0
[M+K]+	724.92166	191.2
[M+H-H2O]+	668.95576	162.3
[M+HCOO]-	730.95670	169.1
[M+CH3COO]-	744.97235	258.3
[M+Na-2H]-	706.93317	177.8
[M]+	685.95795	159.9
[M]-	685.95905	159.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

686.96578

174.6

[M+Na]+

708.94772

198.0

[M-H]-

684.95122

167.1

[M+NH4]+

703.99232

198.0

[M+K]+

724.92166

191.2

[M+H-H2O]+

668.95576

162.3

[M+HCOO]-

730.95670

169.1

[M+CH3COO]-

744.97235

258.3

[M+Na-2H]-

706.93317

177.8

[M]+

685.95795

159.9

[M]-

685.95905

159.9

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

Perfluoroperhydrofluoranthene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe