CID 139594984

1-hydroxy-4:2 fluorotelomer sulfonic acid

Structural Information

Molecular Formula
C6H5F9O4S
SMILES
C(C(O)S(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O4S/c7-3(8,1-2(16)20(17,18)19)4(9,10)5(11,12)6(13,14)15/h2,16H,1H2,(H,17,18,19)
InChIKey
FVJAERWLICOZSD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluoro-1-hydroxyhexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.97647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.983746 155.6
[M+Na]+ 366.965688 163.1
[M-H]- 342.969194 142.3
[M+NH4]+ 362.010293 166.8
[M+K]+ 382.939628 160.2
[M+H-H2O]+ 326.973730 144.8
[M+HCOO]- 388.974671 154.4
[M+CH3COO]- 402.990321 200.7
[M+Na-2H]- 364.951136 158.2
[M]+ 343.97592142 143.6
[M]- 343.97701858 143.6
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.