CID 67734

Perfluorohexanesulfonic acid

Structural Information

Molecular Formula
C6HF13O3S
SMILES
C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
InChIKey
QZHDEAJFRJCDMF-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

426
References

6224
Patents

399.94388 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.95116 165.9
[M+Na]+ 422.93310 174.8
[M-H]- 398.93660 150.7
[M+NH4]+ 417.97770 154.0
[M+K]+ 438.90704 171.6
[M+H-H2O]+ 382.94114 152.6
[M+HCOO]- 444.94208 169.1
[M+CH3COO]- 458.95773 213.5
[M+Na-2H]- 420.91855 170.0
[M]+ 399.94333 147.8
[M]- 399.94443 147.8
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.