PubChemLite - Etfospeg, m=3 (C18H22F17NO6S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCO)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/C18H22F17NO6S/c1-2-36(3-5-40-7-9-42-10-8-41-6-4-37)43(38,39)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33/h37H,2-10H2,1H3

InChIKey

FPKYVUSWHGEBAW-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-hydroxyethoxy)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]+	704.09694	207.0
[M+Na]+	726.07888	209.2
[M-H]-	702.08238	215.8
[M+NH4]+	721.12348	219.5
[M+K]+	742.05282	220.6
[M+H-H2O]+	686.08692	194.5
[M+HCOO]-	748.08786	221.5
[M+CH3COO]-	762.10351	265.7
[M+Na-2H]-	724.06433	201.5
[M]+	703.08911	207.5
[M]-	703.09021	207.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

704.09694

207.0

[M+Na]+

726.07888

209.2

[M-H]-

702.08238

215.8

[M+NH4]+

721.12348

219.5

[M+K]+

742.05282

220.6

[M+H-H2O]+

686.08692

194.5

[M+HCOO]-

748.08786

221.5

[M+CH3COO]-

762.10351

265.7

[M+Na-2H]-

724.06433

201.5

[M]+

703.08911

207.5

[M]-

703.09021

207.5

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

Etfospeg, m=3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe