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]+ 344.983746 157.7
[M+Na]+ 366.965688 166.0
[M-H]- 342.969194 145.8
[M+NH4]+ 362.010293 169.7
[M+K]+ 382.939628 163.3
[M+H-H2O]+ 326.973730 146.5
[M+HCOO]- 388.974671 158.9
[M+CH3COO]- 402.990321 202.3
[M+Na-2H]- 364.951136 161.5
[M]+ 343.97592142 148.2
[M]- 343.97701858 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.