PubChemLite - Etfospeg, m=9 (C30H46F17NO12S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C30H46F17NO12S/c1-2-48(61(50,51)30(46,47)28(41,42)26(37,38)24(33,34)23(31,32)25(35,36)27(39,40)29(43,44)45)3-5-52-7-9-54-11-13-56-15-17-58-19-21-60-22-20-59-18-16-57-14-12-55-10-8-53-6-4-49/h49H,2-22H2,1H3

InChIKey

UXWLFCCFIPXSRE-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-(2-hydroxyethoxy)ethoxy]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]+	968.25423	261.5
[M+Na]+	990.23617	259.1
[M-H]-	966.23967	269.5
[M+NH4]+	985.28077	277.3
[M+K]+	1006.2101	274.3
[M+H-H2O]+	950.24421	248.3
[M+HCOO]-	1012.2452	270.6
[M+CH3COO]-	1026.2608	299.8
[M+Na-2H]-	988.22162	249.2
[M]+	967.24640	266.5
[M]-	967.24750	266.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

968.25423

261.5

[M+Na]+

990.23617

259.1

[M-H]-

966.23967

269.5

[M+NH4]+

985.28077

277.3

[M+K]+

1006.2101

274.3

[M+H-H2O]+

950.24421

248.3

[M+HCOO]-

1012.2452

270.6

[M+CH3COO]-

1026.2608

299.8

[M+Na-2H]-

988.22162

249.2

[M]+

967.24640

266.5

[M]-

967.24750

266.5

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

Etfospeg, m=9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe