PubChemLite - 1-octanesulfonamide, n-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-(2-hydroxyethyl)- (C12H10F17NO3S)

Structural Information

Molecular Formula

SMILES

CCN(CCO)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/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3

InChIKey

HUFHNYZNTFSKCT-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-hydroxyethyl)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]+	572.01828	182.3
[M+Na]+	594.00022	186.8
[M-H]-	570.00372	191.3
[M+NH4]+	589.04482	193.2
[M+K]+	609.97416	196.3
[M+H-H2O]+	554.00826	170.2
[M+HCOO]-	616.00920	199.2
[M+CH3COO]-	630.02485	247.0
[M+Na-2H]-	591.98567	180.1
[M]+	571.01045	182.1
[M]-	571.01155	182.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

572.01828

182.3

[M+Na]+

594.00022

186.8

[M-H]-

570.00372

191.3

[M+NH4]+

589.04482

193.2

[M+K]+

609.97416

196.3

[M+H-H2O]+

554.00826

170.2

[M+HCOO]-

616.00920

199.2

[M+CH3COO]-

630.02485

247.0

[M+Na-2H]-

591.98567

180.1

[M]+

571.01045

182.1

[M]-

571.01155

182.1

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

1-octanesulfonamide, n-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-(2-hydroxyethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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