PubChemLite - 26-(perfluorooctyl)-3,6,9,12,15,18,21,24-octaoxahexaeicosan-1-ol (C26H37F17O9)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCO)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/C26H37F17O9/c27-19(28,20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43)1-3-45-5-7-47-9-11-49-13-15-51-17-18-52-16-14-50-12-10-48-8-6-46-4-2-44/h44H,1-18H2

InChIKey

NANWJVSAIKDAJZ-UHFFFAOYSA-N

Compound name

2-[2-[2-[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]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]+	817.22388	226.9
[M+Na]+	839.20582	225.6
[M-H]-	815.20932	231.2
[M+NH4]+	834.25042	238.1
[M+K]+	855.17976	238.6
[M+H-H2O]+	799.21386	214.8
[M+HCOO]-	861.21480	240.3
[M+CH3COO]-	875.23045	280.5
[M+Na-2H]-	837.19127	217.0
[M]+	816.21605	226.9
[M]-	816.21715	226.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

817.22388

226.9

[M+Na]+

839.20582

225.6

[M-H]-

815.20932

231.2

[M+NH4]+

834.25042

238.1

[M+K]+

855.17976

238.6

[M+H-H2O]+

799.21386

214.8

[M+HCOO]-

861.21480

240.3

[M+CH3COO]-

875.23045

280.5

[M+Na-2H]-

837.19127

217.0

[M]+

816.21605

226.9

[M]-

816.21715

226.9

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

26-(perfluorooctyl)-3,6,9,12,15,18,21,24-octaoxahexaeicosan-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe