PubChemLite - 137506-19-5 (C11H6F17NO4)

Structural Information

Molecular Formula

SMILES

C(CO)NC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F

InChI

InChI=1S/C11H6F17NO4/c12-4(7(16,17)18,3(31)29-1-2-30)32-11(27,28)6(15,9(22,23)24)33-10(25,26)5(13,14)8(19,20)21/h30H,1-2H2,(H,29,31)

InChIKey

LENQWYBQXKARDJ-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)propanamide

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]+	540.00984	168.9
[M+Na]+	561.99178	174.2
[M-H]-	537.99528	179.3
[M+NH4]+	557.03638	178.3
[M+K]+	577.96572	181.2
[M+H-H2O]+	521.99982	157.7
[M+HCOO]-	584.00076	185.4
[M+CH3COO]-	598.01641	240.2
[M+Na-2H]-	559.97723	167.4
[M]+	539.00201	164.8
[M]-	539.00311	164.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.00984

168.9

[M+Na]+

561.99178

174.2

[M-H]-

537.99528

179.3

[M+NH4]+

557.03638

178.3

[M+K]+

577.96572

181.2

[M+H-H2O]+

521.99982

157.7

[M+HCOO]-

584.00076

185.4

[M+CH3COO]-

598.01641

240.2

[M+Na-2H]-

559.97723

167.4

[M]+

539.00201

164.8

[M]-

539.00311

164.8

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

137506-19-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe