CID 139595603

6-(pentafluorosulfanyl)perfluorohexyl sulfonic acid

Structural Information

Molecular Formula
C6HF17O3S2
SMILES
C(C(C(C(F)(F)S(F)(F)(F)(F)F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C6HF17O3S2/c7-1(8,3(11,12)5(15,16)27(24,25)26)2(9,10)4(13,14)6(17,18)28(19,20,21,22)23/h(H,24,25,26)
InChIKey
JNOLGTOUEXKSDY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(pentafluoro-lambda6-sulfanyl)hexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.90958 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.91686 163.7
[M+Na]+ 530.89880 163.7
[M+NH4]+ 525.94340 163.4
[M+K]+ 546.87274 163.8
[M-H]- 506.90230 162.2
[M+Na-2H]- 528.88425 163.8
[M]+ 507.90903 163.2
[M]- 507.91013 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.