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]+ 444.977376 174.4
[M+Na]+ 466.959318 160.1
[M-H]- 442.962824 161.8
[M+NH4]+ 462.003923 163.4
[M+K]+ 482.933258 178.3
[M+H-H2O]+ 426.967360 161.1
[M+HCOO]- 488.968301 174.2
[M+CH3COO]- 502.983951 219.0
[M+Na-2H]- 464.944766 177.2
[M]+ 443.96955142 157.3
[M]- 443.97064858 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.