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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.93648 170.7
[M+Na]+ 588.91842 173.1
[M-H]- 564.92192 179.4
[M+NH4]+ 583.96302 181.0
[M+K]+ 604.89236 183.4
[M+H-H2O]+ 548.92646 157.9
[M+HCOO]- 610.92740 190.7
[M+CH3COO]- 624.94305 239.9
[M+Na-2H]- 586.90387 169.9
[M]+ 565.92865 172.1
[M]- 565.92975 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.