PubChemLite - Hopas n=5 m=8 (C26H33F21O8)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C26H33F21O8/c27-17(28,1-3-49-5-7-51-9-11-53-13-15-55-16-14-54-12-10-52-8-6-50-4-2-48)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)47/h48H,1-16H2

InChIKey

BZWHBGIPWKDCIO-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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]+	873.19128	229.3
[M+Na]+	895.17322	228.1
[M-H]-	871.17672	236.4
[M+NH4]+	890.21782	241.6
[M+K]+	911.14716	243.6
[M+H-H2O]+	855.18126	215.5
[M+HCOO]-	917.18220	242.6
[M+CH3COO]-	931.19785	284.6
[M+Na-2H]-	893.15867	221.8
[M]+	872.18345	229.5
[M]-	872.18455	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

873.19128

229.3

[M+Na]+

895.17322

228.1

[M-H]-

871.17672

236.4

[M+NH4]+

890.21782

241.6

[M+K]+

911.14716

243.6

[M+H-H2O]+

855.18126

215.5

[M+HCOO]-

917.18220

242.6

[M+CH3COO]-

931.19785

284.6

[M+Na-2H]-

893.15867

221.8

[M]+

872.18345

229.5

[M]-

872.18455

229.5

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

Hopas n=5 m=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe