PubChemLite - 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]+	832.91542	212.2
[M+Na]+	854.89736	212.3
[M-H]-	830.90086	224.9
[M+NH4]+	849.94196	224.8
[M+K]+	870.87130	227.9
[M+H-H2O]+	814.90540	197.8
[M+HCOO]-	876.90634	227.8
[M+CH3COO]-	890.92199	267.6
[M+Na-2H]-	852.88281	213.3
[M]+	831.90759	212.8
[M]-	831.90869	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

832.91542

212.2

[M+Na]+

854.89736

212.3

[M-H]-

830.90086

224.9

[M+NH4]+

849.94196

224.8

[M+K]+

870.87130

227.9

[M+H-H2O]+

814.90540

197.8

[M+HCOO]-

876.90634

227.8

[M+CH3COO]-

890.92199

267.6

[M+Na-2H]-

852.88281

213.3

[M]+

831.90759

212.8

[M]-

831.90869

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