CID 139594766

5h-perfluorohexanesulfonic acid

Structural Information

Molecular Formula
C6H2F12O3S
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H2F12O3S/c7-1(3(10,11)12)2(8,9)4(13,14)5(15,16)6(17,18)22(19,20)21/h1H,(H,19,20,21)
InChIKey
DOWJLTPWPGXVFD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,6,6,6-dodecafluorohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.9533 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.96058 185.2
[M+Na]+ 404.94252 184.8
[M+NH4]+ 399.98712 183.9
[M+K]+ 420.91646 183.2
[M-H]- 380.94602 179.3
[M+Na-2H]- 402.92797 182.4
[M]+ 381.95275 183.3
[M]- 381.95385 183.3
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.