Pefas(n10) (C14HF29O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14HF29O5S/c15-1(16,2(17,18)4(21,22)6(25,26)8(29,30)14(42,43)49(44,45)46)3(19,20)5(23,24)7(27,28)10(34,35)47-12(38,39)13(40,41)48-11(36,37)9(31,32)33/h(H,44,45,46)

InChIKey

FBHZMTUGZANOGE-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]decane-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]+	832.915416	212.2
[M+Na]+	854.897358	212.3
[M-H]-	830.900864	224.9
[M+NH4]+	849.941963	224.8
[M+K]+	870.871298	227.9
[M+H-H2O]+	814.905400	197.8
[M+HCOO]-	876.906341	227.8
[M+CH3COO]-	890.921991	267.6
[M+Na-2H]-	852.882806	213.3
[M]+	831.90759142	212.8
[M]-	831.90868858	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

832.915416

212.2

[M+Na]+

854.897358

212.3

[M-H]-

830.900864

224.9

[M+NH4]+

849.941963

224.8

[M+K]+

870.871298

227.9

[M+H-H2O]+

814.905400

197.8

[M+HCOO]-

876.906341

227.8

[M+CH3COO]-

890.921991

267.6

[M+Na-2H]-

852.882806

213.3

[M]+

831.90759142

212.8

[M]-

831.90868858

212.8

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

Pefas(n10)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe