CID 129844165

18-fluoro-9,10-epoxyoctadecansaeure

Structural Information

Molecular Formula
C18H33FO3
SMILES
C(CCCCF)CCCC1C(O1)CCCCCCCC(=O)O
InChI
InChI=1S/C18H33FO3/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17H,1-15H2,(H,20,21)
InChIKey
ASQQIVAJPKUHQO-UHFFFAOYSA-N
Compound name
8-[3-(8-fluorooctyl)oxiran-2-yl]octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.24136 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24864 177.5
[M+Na]+ 339.23058 182.4
[M-H]- 315.23408 178.4
[M+NH4]+ 334.27518 185.8
[M+K]+ 355.20452 178.5
[M+H-H2O]+ 299.23862 169.0
[M+HCOO]- 361.23956 194.3
[M+CH3COO]- 375.25521 210.6
[M+Na-2H]- 337.21603 177.4
[M]+ 316.24081 185.4
[M]- 316.24191 185.4
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.