PubChemLite - 117413-27-1 (C27H41F17N2O8S)

Structural Information

Molecular Formula

SMILES

CCN(CCCN(CCOCCOCCOC)CCOCCOCCOC)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/C27H41F17N2O8S/c1-4-46(7-5-6-45(8-10-51-16-18-53-14-12-49-2)9-11-52-17-19-54-15-13-50-3)55(47,48)27(43,44)25(38,39)23(34,35)21(30,31)20(28,29)22(32,33)24(36,37)26(40,41)42/h4-19H2,1-3H3

InChIKey

UTHJNVIGBQDMRN-UHFFFAOYSA-N

Compound name

N-[3-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]propyl]-N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-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]+	877.23848	247.8
[M+Na]+	899.22042	250.5
[M-H]-	875.22392	258.7
[M+NH4]+	894.26502	265.5
[M+K]+	915.19436	264.5
[M+H-H2O]+	859.22846	236.2
[M+HCOO]-	921.22940	257.9
[M+CH3COO]-	935.24505	296.6
[M+Na-2H]-	897.20587	239.4
[M]+	876.23065	249.9
[M]-	876.23175	249.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

877.23848

247.8

[M+Na]+

899.22042

250.5

[M-H]-

875.22392

258.7

[M+NH4]+

894.26502

265.5

[M+K]+

915.19436

264.5

[M+H-H2O]+

859.22846

236.2

[M+HCOO]-

921.22940

257.9

[M+CH3COO]-

935.24505

296.6

[M+Na-2H]-

897.20587

239.4

[M]+

876.23065

249.9

[M]-

876.23175

249.9

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

117413-27-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe