1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoroicosane (C20H17F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H17F25/c1-2-3-4-5-6-7-8-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2-8H2,1H3

InChIKey

QELQLGDYULEYAR-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoroicosane

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]+	733.100376	210.3
[M+Na]+	755.082318	213.2
[M-H]-	731.085824	218.3
[M+NH4]+	750.126923	221.1
[M+K]+	771.056258	228.6
[M+H-H2O]+	715.090360	196.5
[M+HCOO]-	777.091301	226.9
[M+CH3COO]-	791.106951	269.8
[M+Na-2H]-	753.067766	209.3
[M]+	732.09255142	208.4
[M]-	732.09364858	208.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

733.100376

210.3

[M+Na]+

755.082318

213.2

[M-H]-

731.085824

218.3

[M+NH4]+

750.126923

221.1

[M+K]+

771.056258

228.6

[M+H-H2O]+

715.090360

196.5

[M+HCOO]-

777.091301

226.9

[M+CH3COO]-

791.106951

269.8

[M+Na-2H]-

753.067766

209.3

[M]+

732.09255142

208.4

[M]-

732.09364858

208.4

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoroicosane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe