PubChemLite - Hopas n=3 m=12 (C30H49F13O12)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C30H49F13O12/c31-25(32,26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)43)1-3-45-5-7-47-9-11-49-13-15-51-17-19-53-21-23-55-24-22-54-20-18-52-16-14-50-12-10-48-8-6-46-4-2-44/h44H,1-24H2

InChIKey

SWOGHCSMAYFEBO-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)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]+	849.30892	247.3
[M+Na]+	871.29086	244.2
[M-H]-	847.29436	247.7
[M+NH4]+	866.33546	258.1
[M+K]+	887.26480	255.2
[M+H-H2O]+	831.29890	237.3
[M+HCOO]-	893.29984	258.4
[M+CH3COO]-	907.31549	286.9
[M+Na-2H]-	869.27631	232.5
[M]+	848.30109	248.6
[M]-	848.30219	248.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

849.30892

247.3

[M+Na]+

871.29086

244.2

[M-H]-

847.29436

247.7

[M+NH4]+

866.33546

258.1

[M+K]+

887.26480

255.2

[M+H-H2O]+

831.29890

237.3

[M+HCOO]-

893.29984

258.4

[M+CH3COO]-

907.31549

286.9

[M+Na-2H]-

869.27631

232.5

[M]+

848.30109

248.6

[M]-

848.30219

248.6

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=12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe