CID 139597522

1-hydroxy-8:2 fluorotelomer sulfonic acid

Structural Information

Molecular Formula
C10H5F17O4S
SMILES
C(C(O)S(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F17O4S/c11-3(12,1-2(28)32(29,30)31)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2,28H,1H2,(H,29,30,31)
InChIKey
VRJWTMNIGCNXFO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-hydroxydecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

543.9637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.97098 171.7
[M+Na]+ 566.95292 173.7
[M-H]- 542.95642 179.4
[M+NH4]+ 561.99752 180.3
[M+K]+ 582.92686 183.3
[M+H-H2O]+ 526.96096 158.9
[M+HCOO]- 588.96190 188.1
[M+CH3COO]- 602.97755 235.6
[M+Na-2H]- 564.93837 169.3
[M]+ 543.96315 171.9
[M]- 543.96425 171.9
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.