PubChemLite - 17-(perfluorodecyl)-3,6,9,12,15-pentaoxaheptadecanol (C22H25F21O6)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C22H25F21O6/c23-13(24,1-3-45-5-7-47-9-11-49-12-10-48-8-6-46-4-2-44)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)43/h44H,1-12H2

InChIKey

GJVPDDDLRXQQEE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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]+	785.13888	212.6
[M+Na]+	807.12082	212.8
[M-H]-	783.12432	219.9
[M+NH4]+	802.16542	223.8
[M+K]+	823.09476	227.1
[M+H-H2O]+	767.12886	199.0
[M+HCOO]-	829.12980	227.6
[M+CH3COO]-	843.14545	274.0
[M+Na-2H]-	805.10627	207.2
[M]+	784.13105	211.6
[M]-	784.13215	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

785.13888

212.6

[M+Na]+

807.12082

212.8

[M-H]-

783.12432

219.9

[M+NH4]+

802.16542

223.8

[M+K]+

823.09476

227.1

[M+H-H2O]+

767.12886

199.0

[M+HCOO]-

829.12980

227.6

[M+CH3COO]-

843.14545

274.0

[M+Na-2H]-

805.10627

207.2

[M]+

784.13105

211.6

[M]-

784.13215

211.6

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

17-(perfluorodecyl)-3,6,9,12,15-pentaoxaheptadecanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe