PubChemLite - N-ethyl-n-(17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl)perfluorooctanesulfonamide (C22H30F17NO8S)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCCOCCOCCOCCO)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/C22H30F17NO8S/c1-2-40(3-5-44-7-9-46-11-13-48-14-12-47-10-8-45-6-4-41)49(42,43)22(38,39)20(33,34)18(29,30)16(25,26)15(23,24)17(27,28)19(31,32)21(35,36)37/h41H,2-14H2,1H3

InChIKey

XOFYXVVRHPRCEZ-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-hydroxyethoxy)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]+	792.14938	224.4
[M+Na]+	814.13132	225.1
[M-H]-	790.13482	233.0
[M+NH4]+	809.17592	238.0
[M+K]+	830.10526	237.8
[M+H-H2O]+	774.13936	211.6
[M+HCOO]-	836.14030	237.2
[M+CH3COO]-	850.15595	277.6
[M+Na-2H]-	812.11677	216.6
[M]+	791.14155	225.9
[M]-	791.14265	225.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

792.14938

224.4

[M+Na]+

814.13132

225.1

[M-H]-

790.13482

233.0

[M+NH4]+

809.17592

238.0

[M+K]+

830.10526

237.8

[M+H-H2O]+

774.13936

211.6

[M+HCOO]-

836.14030

237.2

[M+CH3COO]-

850.15595

277.6

[M+Na-2H]-

812.11677

216.6

[M]+

791.14155

225.9

[M]-

791.14265

225.9

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

N-ethyl-n-(17-hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl)perfluorooctanesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe