CID 139594129

Perfluorohexenol

Structural Information

Molecular Formula
C6HF11O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(O)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C6HF11O/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/h18H/b2-1+
InChIKey
ADFQWOLUKYLWCE-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.98517 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.992446 148.2
[M+Na]+ 320.974388 157.1
[M-H]- 296.977894 134.5
[M+NH4]+ 316.018993 161.8
[M+K]+ 336.948328 154.1
[M+H-H2O]+ 280.982430 136.4
[M+HCOO]- 342.983371 151.2
[M+CH3COO]- 356.999021 200.1
[M+Na-2H]- 318.959836 149.3
[M]+ 297.98462142 129.4
[M]- 297.98571858 129.4
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.