PubChemLite - Hopas n=4 m=12 (C32H49F17O12)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C32H49F17O12/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)1-3-51-5-7-53-9-11-55-13-15-57-17-19-59-21-23-61-24-22-60-20-18-58-16-14-56-12-10-54-8-6-52-4-2-50/h50H,1-24H2

InChIKey

NVHCKHWFJQHMND-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[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]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]+	949.30248	255.4
[M+Na]+	971.28442	251.7
[M-H]-	947.28792	259.1
[M+NH4]+	966.32902	268.3
[M+K]+	987.25836	266.6
[M+H-H2O]+	931.29246	242.9
[M+HCOO]-	993.29340	265.9
[M+CH3COO]-	1007.3091	297.1
[M+Na-2H]-	969.26987	242.0
[M]+	948.29465	258.0
[M]-	948.29575	258.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

949.30248

255.4

[M+Na]+

971.28442

251.7

[M-H]-

947.28792

259.1

[M+NH4]+

966.32902

268.3

[M+K]+

987.25836

266.6

[M+H-H2O]+

931.29246

242.9

[M+HCOO]-

993.29340

265.9

[M+CH3COO]-

1007.3091

297.1

[M+Na-2H]-

969.26987

242.0

[M]+

948.29465

258.0

[M]-

948.29575

258.0

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

Hopas n=4 m=12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe