PubChemLite - Hopas n=3 m=15 (C36H61F13O15)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C36H61F13O15/c37-31(38,32(39,40)33(41,42)34(43,44)35(45,46)36(47,48)49)1-3-51-5-7-53-9-11-55-13-15-57-17-19-59-21-23-61-25-27-63-29-30-64-28-26-62-24-22-60-20-18-58-16-14-56-12-10-54-8-6-52-4-2-50/h50H,1-30H2

InChIKey

CNSCOBFDJJVZFM-UHFFFAOYSA-N

Compound name

2-[2-[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]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]+	981.38758	278.8
[M+Na]+	1003.3695	273.3
[M-H]-	979.37302	278.7
[M+NH4]+	998.41412	291.5
[M+K]+	1019.3435	286.2
[M+H-H2O]+	963.37756	268.5
[M+HCOO]-	1025.3785	286.9
[M+CH3COO]-	1039.3942	304.0
[M+Na-2H]-	1001.3550	260.3
[M]+	980.37975	283.5
[M]-	980.38085	283.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

981.38758

278.8

[M+Na]+

1003.3695

273.3

[M-H]-

979.37302

278.7

[M+NH4]+

998.41412

291.5

[M+K]+

1019.3435

286.2

[M+H-H2O]+

963.37756

268.5

[M+HCOO]-

1025.3785

286.9

[M+CH3COO]-

1039.3942

304.0

[M+Na-2H]-

1001.3550

260.3

[M]+

980.37975

283.5

[M]-

980.38085

283.5

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=15

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe