PubChemLite - Etfhpspeg, m=3 (C17H22F15NO6S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C17H22F15NO6S/c1-2-33(3-5-37-7-9-39-10-8-38-6-4-34)40(35,36)17(31,32)15(26,27)13(22,23)11(18,19)12(20,21)14(24,25)16(28,29)30/h34H,2-10H2,1H3

InChIKey

CBDAYLIOYNIKBY-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]heptane-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]+	654.10011	200.9
[M+Na]+	676.08205	203.7
[M-H]-	652.08555	208.4
[M+NH4]+	671.12665	212.6
[M+K]+	692.05599	213.3
[M+H-H2O]+	636.09009	189.5
[M+HCOO]-	698.09103	215.9
[M+CH3COO]-	712.10668	259.3
[M+Na-2H]-	674.06750	195.0
[M]+	653.09228	201.2
[M]-	653.09338	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

654.10011

200.9

[M+Na]+

676.08205

203.7

[M-H]-

652.08555

208.4

[M+NH4]+

671.12665

212.6

[M+K]+

692.05599

213.3

[M+H-H2O]+

636.09009

189.5

[M+HCOO]-

698.09103

215.9

[M+CH3COO]-

712.10668

259.3

[M+Na-2H]-

674.06750

195.0

[M]+

653.09228

201.2

[M]-

653.09338

201.2

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

Etfhpspeg, m=3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe