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]+ 298.99245 148.2
[M+Na]+ 320.97439 157.1
[M-H]- 296.97789 134.5
[M+NH4]+ 316.01899 161.8
[M+K]+ 336.94833 154.1
[M+H-H2O]+ 280.98243 136.4
[M+HCOO]- 342.98337 151.2
[M+CH3COO]- 356.99902 200.1
[M+Na-2H]- 318.95984 149.3
[M]+ 297.98462 129.4
[M]- 297.98572 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.