CID 56935806

18-fluoro-9z,12z-octadecadienoic acid

Structural Information

Molecular Formula
C18H31FO2
SMILES
C(CCC/C=C\C/C=C\CCCCCF)CCCC(=O)O
InChI
InChI=1S/C18H31FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5,7H,3-4,6,8-17H2,(H,20,21)/b2-1-,7-5-
InChIKey
XVXSJURWEJNUMY-PQZOIKATSA-N
Compound name
(9Z,12Z)-18-fluorooctadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2308 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23808 178.8
[M+Na]+ 321.22002 181.5
[M-H]- 297.22352 174.2
[M+NH4]+ 316.26462 193.4
[M+K]+ 337.19396 176.3
[M+H-H2O]+ 281.22806 171.5
[M+HCOO]- 343.22900 196.2
[M+CH3COO]- 357.24465 204.1
[M+Na-2H]- 319.20547 177.2
[M]+ 298.23025 181.6
[M]- 298.23135 181.6
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.