PubChemLite - Hopas n=5 m=12 (C34H49F21O12)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C34H49F21O12/c35-25(36,26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)31(47,48)32(49,50)33(51,52)34(53,54)55)1-3-57-5-7-59-9-11-61-13-15-63-17-19-65-21-23-67-24-22-66-20-18-64-16-14-62-12-10-60-8-6-58-4-2-56/h56H,1-24H2

InChIKey

FPDUFYFPDFGZIW-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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]+	1049.2961	264.9
[M+Na]+	1071.2780	260.8
[M-H]-	1047.2815	271.5
[M+NH4]+	1066.3226	279.2
[M+K]+	1087.2520	278.6
[M+H-H2O]+	1031.2861	250.7
[M+HCOO]-	1093.2870	274.7
[M+CH3COO]-	1107.3027	304.1
[M+Na-2H]-	1069.2635	253.2
[M]+	1048.2883	268.8
[M]-	1048.2893	268.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1049.2961

264.9

[M+Na]+

1071.2780

260.8

[M-H]-

1047.2815

271.5

[M+NH4]+

1066.3226

279.2

[M+K]+

1087.2520

278.6

[M+H-H2O]+

1031.2861

250.7

[M+HCOO]-

1093.2870

274.7

[M+CH3COO]-

1107.3027

304.1

[M+Na-2H]-

1069.2635

253.2

[M]+

1048.2883

268.8

[M]-

1048.2893

268.8

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=12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe