PubChemLite - Hopas n=4 m=11 (C30H45F17O11)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C30H45F17O11/c31-23(32,24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47)1-3-49-5-7-51-9-11-53-13-15-55-17-19-57-21-22-58-20-18-56-16-14-54-12-10-52-8-6-50-4-2-48/h48H,1-22H2

InChIKey

AVSNYEDFTJDYHQ-UHFFFAOYSA-N

Compound name

2-[2-[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]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]+	905.27632	245.7
[M+Na]+	927.25826	242.8
[M-H]-	903.26176	249.6
[M+NH4]+	922.30286	258.0
[M+K]+	943.23220	257.1
[M+H-H2O]+	887.26630	233.4
[M+HCOO]-	949.26724	257.2
[M+CH3COO]-	963.28289	291.8
[M+Na-2H]-	925.24371	233.5
[M]+	904.26849	247.4
[M]-	904.26959	247.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

905.27632

245.7

[M+Na]+

927.25826

242.8

[M-H]-

903.26176

249.6

[M+NH4]+

922.30286

258.0

[M+K]+

943.23220

257.1

[M+H-H2O]+

887.26630

233.4

[M+HCOO]-

949.26724

257.2

[M+CH3COO]-

963.28289

291.8

[M+Na-2H]-

925.24371

233.5

[M]+

904.26849

247.4

[M]-

904.26959

247.4

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

Hopas n=4 m=11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe