Pefas(n11) (C15HF31O5S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C15HF31O5S/c16-1(17,3(20,21)5(24,25)7(28,29)9(32,33)15(45,46)52(47,48)49)2(18,19)4(22,23)6(26,27)8(30,31)11(37,38)50-13(41,42)14(43,44)51-12(39,40)10(34,35)36/h(H,47,48,49)

InChIKey

HYEZOVRMJNQYAJ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-11-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]undecane-1-sulfonic acid

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]+	882.912246	220.4
[M+Na]+	904.894188	220.3
[M-H]-	880.897694	233.4
[M+NH4]+	899.938793	232.9
[M+K]+	920.868128	236.2
[M+H-H2O]+	864.902230	206.2
[M+HCOO]-	926.903171	235.1
[M+CH3COO]-	940.918821	270.4
[M+Na-2H]-	902.879636	221.9
[M]+	881.90442142	220.4
[M]-	881.90551858	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

882.912246

220.4

[M+Na]+

904.894188

220.3

[M-H]-

880.897694

233.4

[M+NH4]+

899.938793

232.9

[M+K]+

920.868128

236.2

[M+H-H2O]+

864.902230

206.2

[M+HCOO]-

926.903171

235.1

[M+CH3COO]-

940.918821

270.4

[M+Na-2H]-

902.879636

221.9

[M]+

881.90442142

220.4

[M]-

881.90551858

220.4

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

Pefas(n11)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe