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
2
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 174.4
[M+Na]+ 466.95932 160.1
[M-H]- 442.96282 161.8
[M+NH4]+ 462.00392 163.4
[M+K]+ 482.93326 178.3
[M+H-H2O]+ 426.96736 161.1
[M+HCOO]- 488.96830 174.2
[M+CH3COO]- 502.98395 219.0
[M+Na-2H]- 464.94477 177.2
[M]+ 443.96955 157.3
[M]- 443.97065 157.3
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.