CID 139597220

1-hydroxy-6:2 fluorotelomer sulfonic acid

Structural Information

Molecular Formula
C8H5F13O4S
SMILES
C(C(O)S(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F13O4S/c9-3(10,1-2(22)26(23,24)25)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2,22H,1H2,(H,23,24,25)
InChIKey
TWHCHVHSCCYMJT-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-hydroxyoctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.9701 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.97738 182.6
[M+Na]+ 466.95932 182.0
[M+NH4]+ 462.00392 181.3
[M+K]+ 482.93326 181.0
[M-H]- 442.96282 177.6
[M+Na-2H]- 464.94477 180.3
[M]+ 443.96955 181.0
[M]- 443.97065 181.0
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.