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
1
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]+ 298.99245 181.6
[M+Na]+ 320.97439 181.8
[M+NH4]+ 316.01899 180.7
[M+K]+ 336.94833 180.0
[M-H]- 296.97789 174.9
[M+Na-2H]- 318.95984 178.8
[M]+ 297.98462 179.5
[M]- 297.98572 179.5
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.