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]+ 344.98375 155.6
[M+Na]+ 366.96569 163.1
[M-H]- 342.96919 142.3
[M+NH4]+ 362.01029 166.8
[M+K]+ 382.93963 160.2
[M+H-H2O]+ 326.97373 144.8
[M+HCOO]- 388.97467 154.4
[M+CH3COO]- 402.99032 200.7
[M+Na-2H]- 364.95114 158.2
[M]+ 343.97592 143.6
[M]- 343.97702 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.