CID 75922

Perfluoropentanesulfonic acid

Structural Information

Molecular Formula

C₅HF₁₁O₃S

SMILES

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

InChI

InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)

InChIKey

ACEKLXZRZOWKRY-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1371
Patents: 349.94708 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

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]+	350.95436	155.5
[M+Na]+	372.93630	164.6
[M-H]-	348.93980	142.1
[M+NH4]+	367.98090	167.1
[M+K]+	388.91024	161.6
[M+H-H2O]+	332.94434	143.5
[M+HCOO]-	394.94528	153.5
[M+CH3COO]-	408.96093	204.2
[M+Na-2H]-	370.92175	159.7
[M]+	349.94653	140.7
[M]-	349.94763	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe