CID 139594539

9h-perfluorodecanesulfonic acid

Structural Information

Molecular Formula

C₁₀H₂F₂₀O₃S

SMILES

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

InChI

InChI=1S/C10H2F20O3S/c11-1(3(14,15)16)2(12,13)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)34(31,32)33/h1H,(H,31,32,33)

InChIKey

CIKJPNFMVNXTBQ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluorodecane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 581.94055 Da
Monoisotopic Mass: 6.1
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]+	582.947826	178.3
[M+Na]+	604.929768	181.1
[M-H]-	580.933274	187.1
[M+NH4]+	599.974373	189.0
[M+K]+	620.903708	192.3
[M+H-H2O]+	564.937810	165.7
[M+HCOO]-	626.938751	195.6
[M+CH3COO]-	640.954401	243.3
[M+Na-2H]-	602.915216	177.5
[M]+	581.94000142	178.6
[M]-	581.94109858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe