CID 14310978

8,9-difluoro-8e,10e-dodecadien-1-ol

Structural Information

Molecular Formula
C12H20F2O
SMILES
C/C=C/C(=C(/CCCCCCCO)\F)/F
InChI
InChI=1S/C12H20F2O/c1-2-8-11(13)12(14)9-6-4-3-5-7-10-15/h2,8,15H,3-7,9-10H2,1H3/b8-2+,12-11+
InChIKey
DOTRBGLRYVSEAI-XNFWGEGYSA-N
Compound name
(8E,10E)-8,9-difluorododeca-8,10-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.14822 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15550 153.4
[M+Na]+ 241.13744 158.0
[M-H]- 217.14094 148.6
[M+NH4]+ 236.18204 171.2
[M+K]+ 257.11138 154.6
[M+H-H2O]+ 201.14548 146.4
[M+HCOO]- 263.14642 170.2
[M+CH3COO]- 277.16207 188.6
[M+Na-2H]- 239.12289 153.0
[M]+ 218.14767 151.1
[M]- 218.14877 151.1
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

patents stripe