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
2
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 177.7
[M+Na]+ 530.89880 185.9
[M-H]- 506.90230 168.4
[M+NH4]+ 525.94340 173.1
[M+K]+ 546.87274 180.8
[M+H-H2O]+ 490.90684 161.8
[M+HCOO]- 552.90778 184.0
[M+CH3COO]- 566.92343 229.4
[M+Na-2H]- 528.88425 178.1
[M]+ 507.90903 166.2
[M]- 507.91013 166.2
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.