CID 75922

2706-91-4

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

2
Annotation Hits: 2
References: 925
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	188.3
[M+Na]+	372.93630	188.0
[M+NH4]+	367.98090	187.0
[M+K]+	388.91024	186.0
[M-H]-	348.93980	181.3
[M+Na-2H]-	370.92175	185.0
[M]+	349.94653	186.1
[M]-	349.94763	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe