PubChemLite - Perfluorotridecanesulfonic acid (C13HF27O3S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C13HF27O3S/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)44(41,42)43/h(H,41,42,43)

InChIKey

JMIXTHMPTMXARZ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluorotridecane-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]+	750.92878	152.6
[M+Na]+	772.91072	152.6
[M+NH4]+	767.95532	152.6
[M+K]+	788.88466	152.6
[M-H]-	748.91422	152.6
[M+Na-2H]-	770.89617	152.6
[M]+	749.92095	152.6
[M]-	749.92205	152.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

750.92878

152.6

[M+Na]+

772.91072

152.6

[M+NH4]+

767.95532

152.6

[M+K]+

788.88466

152.6

[M-H]-

748.91422

152.6

[M+Na-2H]-

770.89617

152.6

[M]+

749.92095

152.6

[M]-

749.92205

152.6

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

Perfluorotridecanesulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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