PubChemLite - 2-{2-(2-(2-[2-(2-(2-(perfluorohexyl)ethoxy)ethoxy]ethoxy)ethoxy)ethoxy)ethoxy}ethanol (C20H29F13O7)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20H29F13O7/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)1-3-35-5-7-37-9-11-39-13-14-40-12-10-38-8-6-36-4-2-34/h34H,1-14H2

InChIKey

BQYGHXUAOMWKDB-UHFFFAOYSA-N

Compound name

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]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]+	629.17788	198.4
[M+Na]+	651.15982	199.7
[M-H]-	627.16332	199.6
[M+NH4]+	646.20442	206.2
[M+K]+	667.13376	207.2
[M+H-H2O]+	611.16786	189.1
[M+HCOO]-	673.16880	214.2
[M+CH3COO]-	687.18445	255.1
[M+Na-2H]-	649.14527	189.8
[M]+	628.17005	196.7
[M]-	628.17115	196.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.17788

198.4

[M+Na]+

651.15982

199.7

[M-H]-

627.16332

199.6

[M+NH4]+

646.20442

206.2

[M+K]+

667.13376

207.2

[M+H-H2O]+

611.16786

189.1

[M+HCOO]-

673.16880

214.2

[M+CH3COO]-

687.18445

255.1

[M+Na-2H]-

649.14527

189.8

[M]+

628.17005

196.7

[M]-

628.17115

196.7

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

2-{2-(2-(2-[2-(2-(2-(perfluorohexyl)ethoxy)ethoxy]ethoxy)ethoxy)ethoxy)ethoxy}ethanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe