PubChemLite - Etfospeg, m=8 (C28H42F17NO11S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCO)S(=O)(=O)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/C28H42F17NO11S/c1-2-46(3-5-50-7-9-52-11-13-54-15-17-56-19-20-57-18-16-55-14-12-53-10-8-51-6-4-47)58(48,49)28(44,45)26(39,40)24(35,36)22(31,32)21(29,30)23(33,34)25(37,38)27(41,42)43/h47H,2-20H2,1H3

InChIKey

KHODLRGIHGQGFK-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]octane-1-sulfonamide

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]+	924.22798	252.0
[M+Na]+	946.20992	250.3
[M-H]-	922.21342	260.1
[M+NH4]+	941.25452	267.2
[M+K]+	962.18386	264.9
[M+H-H2O]+	906.21796	238.9
[M+HCOO]-	968.21890	262.0
[M+CH3COO]-	982.23455	294.5
[M+Na-2H]-	944.19537	240.8
[M]+	923.22015	255.9
[M]-	923.22125	255.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

924.22798

252.0

[M+Na]+

946.20992

250.3

[M-H]-

922.21342

260.1

[M+NH4]+

941.25452

267.2

[M+K]+

962.18386

264.9

[M+H-H2O]+

906.21796

238.9

[M+HCOO]-

968.21890

262.0

[M+CH3COO]-

982.23455

294.5

[M+Na-2H]-

944.19537

240.8

[M]+

923.22015

255.9

[M]-

923.22125

255.9

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

Etfospeg, m=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe