PubChemLite - Hopas n=6 m=9 (C30H37F25O9)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCO)C(C(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)(F)F)(F)F

InChI

InChI=1S/C30H37F25O9/c31-19(32,1-3-57-5-7-59-9-11-61-13-15-63-17-18-64-16-14-62-12-10-60-8-6-58-4-2-56)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)27(47,48)28(49,50)29(51,52)30(53,54)55/h56H,1-18H2

InChIKey

WLNHDMHXIKVPSC-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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]+	1017.2111	249.6
[M+Na]+	1039.1931	247.2
[M-H]-	1015.1966	258.6
[M+NH4]+	1034.2377	263.2
[M+K]+	1055.1670	265.3
[M+H-H2O]+	999.20112	234.7
[M+HCOO]-	1061.2021	261.0
[M+CH3COO]-	1075.2177	295.5
[M+Na-2H]-	1037.1785	242.6
[M]+	1016.2033	251.2
[M]-	1016.2044	251.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1017.2111

249.6

[M+Na]+

1039.1931

247.2

[M-H]-

1015.1966

258.6

[M+NH4]+

1034.2377

263.2

[M+K]+

1055.1670

265.3

[M+H-H2O]+

999.20112

234.7

[M+HCOO]-

1061.2021

261.0

[M+CH3COO]-

1075.2177

295.5

[M+Na-2H]-

1037.1785

242.6

[M]+

1016.2033

251.2

[M]-

1016.2044

251.2

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

Hopas n=6 m=9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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