CID 139597522

1-hydroxy-8:2 fluorotelomer sulfonic acid

Structural Information

Molecular Formula

C₁₀H₅F₁₇O₄S

SMILES

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

InChI

InChI=1S/C10H5F17O4S/c11-3(12,1-2(28)32(29,30)31)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2,28H,1H2,(H,29,30,31)

InChIKey

VRJWTMNIGCNXFO-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-hydroxydecane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 543.9637 Da
Monoisotopic Mass: 4.8
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]+	544.970976	171.7
[M+Na]+	566.952918	173.7
[M-H]-	542.956424	179.4
[M+NH4]+	561.997523	180.3
[M+K]+	582.926858	183.3
[M+H-H2O]+	526.960960	158.9
[M+HCOO]-	588.961901	188.1
[M+CH3COO]-	602.977551	235.6
[M+Na-2H]-	564.938366	169.3
[M]+	543.96315142	171.9
[M]-	543.96424858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.