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
2
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 161.0
[M+Na]+ 404.94252 169.5
[M-H]- 380.94602 146.4
[M+NH4]+ 399.98712 154.9
[M+K]+ 420.91646 166.5
[M+H-H2O]+ 364.95056 148.2
[M+HCOO]- 426.95150 156.9
[M+CH3COO]- 440.96715 210.6
[M+Na-2H]- 402.92797 163.4
[M]+ 381.95275 144.5
[M]- 381.95385 144.5
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.