PubChemLite - Hopas n=3 m=14 (C34H57F13O14)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C34H57F13O14/c35-29(36,30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47)1-3-49-5-7-51-9-11-53-13-15-55-17-19-57-21-23-59-25-27-61-28-26-60-24-22-58-20-18-56-16-14-54-12-10-52-8-6-50-4-2-48/h48H,1-28H2

InChIKey

QAWYEUBJWPLQHI-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[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]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]+	937.36134	268.1
[M+Na]+	959.34328	263.4
[M-H]-	935.34678	268.2
[M+NH4]+	954.38788	280.2
[M+K]+	975.31722	275.7
[M+H-H2O]+	919.35132	257.9
[M+HCOO]-	981.35226	277.2
[M+CH3COO]-	995.36791	298.5
[M+Na-2H]-	957.32873	250.9
[M]+	936.35351	271.5
[M]-	936.35461	271.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

937.36134

268.1

[M+Na]+

959.34328

263.4

[M-H]-

935.34678

268.2

[M+NH4]+

954.38788

280.2

[M+K]+

975.31722

275.7

[M+H-H2O]+

919.35132

257.9

[M+HCOO]-

981.35226

277.2

[M+CH3COO]-

995.36791

298.5

[M+Na-2H]-

957.32873

250.9

[M]+

936.35351

271.5

[M]-

936.35461

271.5

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=14

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe