CID 162396679

4:2 fluorotelomer alcohol sulfate

Structural Information

Molecular Formula
C6H5F9O4S
SMILES
C(COS(=O)(=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O4S/c7-3(8,1-2-19-20(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H,16,17,18)
InChIKey
ZMKOLQPMWYJIKZ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.97647 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.98375 157.7
[M+Na]+ 366.96569 166.0
[M-H]- 342.96919 145.8
[M+NH4]+ 362.01029 169.7
[M+K]+ 382.93963 163.3
[M+H-H2O]+ 326.97373 146.5
[M+HCOO]- 388.97467 158.9
[M+CH3COO]- 402.99032 202.3
[M+Na-2H]- 364.95114 161.5
[M]+ 343.97592 148.2
[M]- 343.97702 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.