CID 5283436

166100-37-4

Structural Information

Molecular Formula
C22H36FNO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF
InChI
InChI=1S/C22H36FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKey
DOGHEWWVBBVYEY-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

349.2781 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.28538 194.3
[M+Na]+ 372.26732 195.6
[M-H]- 348.27082 190.4
[M+NH4]+ 367.31192 207.2
[M+K]+ 388.24126 188.6
[M+H-H2O]+ 332.27536 185.8
[M+HCOO]- 394.27630 213.0
[M+CH3COO]- 408.29195 218.1
[M+Na-2H]- 370.25277 191.3
[M]+ 349.27755 196.5
[M]- 349.27865 196.5
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

patents stripe