PubChemLite - Hopas n=3 m=9 (C24H37F13O9)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H37F13O9/c25-19(26,20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37)1-3-39-5-7-41-9-11-43-13-15-45-17-18-46-16-14-44-12-10-42-8-6-40-4-2-38/h38H,1-18H2

InChIKey

SIRPGQGHBBIKGZ-UHFFFAOYSA-N

Compound name

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]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]+	717.23028	217.4
[M+Na]+	739.21222	216.9
[M-H]-	715.21572	218.3
[M+NH4]+	734.25682	226.4
[M+K]+	755.18616	225.9
[M+H-H2O]+	699.22026	207.8
[M+HCOO]-	761.22120	231.4
[M+CH3COO]-	775.23685	268.3
[M+Na-2H]-	737.19767	206.3
[M]+	716.22245	216.5
[M]-	716.22355	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

717.23028

217.4

[M+Na]+

739.21222

216.9

[M-H]-

715.21572

218.3

[M+NH4]+

734.25682

226.4

[M+K]+

755.18616

225.9

[M+H-H2O]+

699.22026

207.8

[M+HCOO]-

761.22120

231.4

[M+CH3COO]-

775.23685

268.3

[M+Na-2H]-

737.19767

206.3

[M]+

716.22245

216.5

[M]-

716.22355

216.5

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=9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe