PubChemLite - Etfhpspeg, m=2 (C15H18F15NO5S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCO)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/C15H18F15NO5S/c1-2-31(3-5-35-7-8-36-6-4-32)37(33,34)15(29,30)13(24,25)11(20,21)9(16,17)10(18,19)12(22,23)14(26,27)28/h32H,2-8H2,1H3

InChIKey

RQLWDNRVJUKIHI-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-hydroxyethoxy)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]+	610.07388	192.3
[M+Na]+	632.05582	195.9
[M-H]-	608.05932	199.8
[M+NH4]+	627.10042	203.4
[M+K]+	648.02976	204.7
[M+H-H2O]+	592.06386	181.0
[M+HCOO]-	654.06480	208.1
[M+CH3COO]-	668.08045	252.8
[M+Na-2H]-	630.04127	187.5
[M]+	609.06605	192.3
[M]-	609.06715	192.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

610.07388

192.3

[M+Na]+

632.05582

195.9

[M-H]-

608.05932

199.8

[M+NH4]+

627.10042

203.4

[M+K]+

648.02976

204.7

[M+H-H2O]+

592.06386

181.0

[M+HCOO]-

654.06480

208.1

[M+CH3COO]-

668.08045

252.8

[M+Na-2H]-

630.04127

187.5

[M]+

609.06605

192.3

[M]-

609.06715

192.3

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

Etfhpspeg, m=2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe