PubChemLite - Hopas n=3 m=13 (C32H53F13O13)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C32H53F13O13/c33-27(34,28(35,36)29(37,38)30(39,40)31(41,42)32(43,44)45)1-3-47-5-7-49-9-11-51-13-15-53-17-19-55-21-23-57-25-26-58-24-22-56-20-18-54-16-14-52-12-10-50-8-6-48-4-2-46/h46H,1-26H2

InChIKey

TYYJXXALPSRMOH-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]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]+	893.33518	257.6
[M+Na]+	915.31712	253.7
[M-H]-	891.32062	257.8
[M+NH4]+	910.36172	269.0
[M+K]+	931.29106	265.4
[M+H-H2O]+	875.32516	247.5
[M+HCOO]-	937.32610	267.7
[M+CH3COO]-	951.34175	292.8
[M+Na-2H]-	913.30257	241.6
[M]+	892.32735	259.9
[M]-	892.32845	259.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

893.33518

257.6

[M+Na]+

915.31712

253.7

[M-H]-

891.32062

257.8

[M+NH4]+

910.36172

269.0

[M+K]+

931.29106

265.4

[M+H-H2O]+

875.32516

247.5

[M+HCOO]-

937.32610

267.7

[M+CH3COO]-

951.34175

292.8

[M+Na-2H]-

913.30257

241.6

[M]+

892.32735

259.9

[M]-

892.32845

259.9

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

Hopas n=3 m=13

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe