PubChemLite - 17-(perfluorooctyl)-3,6,9,12,15-pentaoxaheptadecanol (C20H25F17O6)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C20H25F17O6/c21-13(22,1-3-39-5-7-41-9-11-43-12-10-42-8-6-40-4-2-38)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h38H,1-12H2

InChIKey

WQQKEMYYIRGCAX-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	685.14522	200.2
[M+Na]+	707.12716	201.3
[M-H]-	683.13066	204.8
[M+NH4]+	702.17176	209.7
[M+K]+	723.10110	212.3
[M+H-H2O]+	667.13520	188.5
[M+HCOO]-	729.13614	216.1
[M+CH3COO]-	743.15179	262.6
[M+Na-2H]-	705.11261	193.7
[M]+	684.13739	198.7
[M]-	684.13849	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

685.14522

200.2

[M+Na]+

707.12716

201.3

[M-H]-

683.13066

204.8

[M+NH4]+

702.17176

209.7

[M+K]+

723.10110

212.3

[M+H-H2O]+

667.13520

188.5

[M+HCOO]-

729.13614

216.1

[M+CH3COO]-

743.15179

262.6

[M+Na-2H]-

705.11261

193.7

[M]+

684.13739

198.7

[M]-

684.13849

198.7

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

17-(perfluorooctyl)-3,6,9,12,15-pentaoxaheptadecanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe