PubChemLite - 20-(perfluorooctyl)-3,6,9,12,15,18-hexaoxaeicosan-1-ol (C22H29F17O7)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C22H29F17O7/c23-15(24,1-3-41-5-7-43-9-11-45-13-14-46-12-10-44-8-6-42-4-2-40)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h40H,1-14H2

InChIKey

WIQZMKFUBSSZSR-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)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]+	729.17148	208.9
[M+Na]+	751.15342	209.2
[M-H]-	727.15692	213.4
[M+NH4]+	746.19802	219.0
[M+K]+	767.12736	220.9
[M+H-H2O]+	711.16146	197.0
[M+HCOO]-	773.16240	224.0
[M+CH3COO]-	787.17805	268.7
[M+Na-2H]-	749.13887	201.3
[M]+	728.16365	207.8
[M]-	728.16475	207.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

729.17148

208.9

[M+Na]+

751.15342

209.2

[M-H]-

727.15692

213.4

[M+NH4]+

746.19802

219.0

[M+K]+

767.12736

220.9

[M+H-H2O]+

711.16146

197.0

[M+HCOO]-

773.16240

224.0

[M+CH3COO]-

787.17805

268.7

[M+Na-2H]-

749.13887

201.3

[M]+

728.16365

207.8

[M]-

728.16475

207.8

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

20-(perfluorooctyl)-3,6,9,12,15,18-hexaoxaeicosan-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe