PubChemLite - Me-pfsas(n10) (C14HF29O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14HF29O4S/c15-1(10(32,33)34,11(35,36)37)12(38,39)47-13(40,41)8(28,29)6(24,25)4(20,21)2(16,17)3(18,19)5(22,23)7(26,27)9(30,31)14(42,43)48(44,45)46/h(H,44,45,46)

InChIKey

SPAGVTFDXPXWAA-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-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]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]+	816.92055	211.2
[M+Na]+	838.90249	211.7
[M-H]-	814.90599	223.7
[M+NH4]+	833.94709	223.5
[M+K]+	854.87643	227.2
[M+H-H2O]+	798.91053	196.8
[M+HCOO]-	860.91147	227.1
[M+CH3COO]-	874.92712	266.2
[M+Na-2H]-	836.88794	212.5
[M]+	815.91272	211.4
[M]-	815.91382	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

816.92055

211.2

[M+Na]+

838.90249

211.7

[M-H]-

814.90599

223.7

[M+NH4]+

833.94709

223.5

[M+K]+

854.87643

227.2

[M+H-H2O]+

798.91053

196.8

[M+HCOO]-

860.91147

227.1

[M+CH3COO]-

874.92712

266.2

[M+Na-2H]-

836.88794

212.5

[M]+

815.91272

211.4

[M]-

815.91382

211.4

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

Me-pfsas(n10)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe