PubChemLite - Hopas n=3 m=8 (C22H33F13O8)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C22H33F13O8/c23-17(24,18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35)1-3-37-5-7-39-9-11-41-13-15-43-16-14-42-12-10-40-8-6-38-4-2-36/h36H,1-16H2

InChIKey

ARVXJZZEKLIKCL-UHFFFAOYSA-N

Compound name

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]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]+	673.20408	207.8
[M+Na]+	695.18602	208.2
[M-H]-	671.18952	208.8
[M+NH4]+	690.23062	216.2
[M+K]+	711.15996	216.5
[M+H-H2O]+	655.19406	198.3
[M+HCOO]-	717.19500	222.7
[M+CH3COO]-	731.21065	261.8
[M+Na-2H]-	693.17147	197.9
[M]+	672.19625	206.4
[M]-	672.19735	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

673.20408

207.8

[M+Na]+

695.18602

208.2

[M-H]-

671.18952

208.8

[M+NH4]+

690.23062

216.2

[M+K]+

711.15996

216.5

[M+H-H2O]+

655.19406

198.3

[M+HCOO]-

717.19500

222.7

[M+CH3COO]-

731.21065

261.8

[M+Na-2H]-

693.17147

197.9

[M]+

672.19625

206.4

[M]-

672.19735

206.4

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=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe