CID 139597196

Perfluoro-8-methoxyoctanesulfonic acid

Structural Information

Molecular Formula

C₉HF₁₉O₄S

SMILES

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

InChI

InChI=1S/C9HF19O4S/c10-1(11,3(14,15)5(18,19)7(22,23)32-9(26,27)28)2(12,13)4(16,17)6(20,21)8(24,25)33(29,30)31/h(H,29,30,31)

InChIKey

TTYOXVQDDBIUHB-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(trifluoromethoxy)octane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 565.9292 Da
Monoisotopic Mass: 5.7
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]+	566.936476	170.7
[M+Na]+	588.918418	173.1
[M-H]-	564.921924	179.4
[M+NH4]+	583.963023	181.0
[M+K]+	604.892358	183.4
[M+H-H2O]+	548.926460	157.9
[M+HCOO]-	610.927401	190.7
[M+CH3COO]-	624.943051	239.9
[M+Na-2H]-	586.903866	169.9
[M]+	565.92865142	172.1
[M]-	565.92974858	172.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.