CID 216819

37744-27-7

Structural Information

Molecular Formula
C24H40FNO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=CN=C1)F
InChI
InChI=1S/C24H40FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)28-21-22-18-23(25)20-26-19-22/h18-20H,2-17,21H2,1H3
InChIKey
NDJPLQIPBRPDNK-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.30432 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.31160 204.8
[M+Na]+ 416.29354 206.6
[M-H]- 392.29704 202.9
[M+NH4]+ 411.33814 214.8
[M+K]+ 432.26748 201.3
[M+H-H2O]+ 376.30158 194.1
[M+HCOO]- 438.30252 221.5
[M+CH3COO]- 452.31817 225.8
[M+Na-2H]- 414.27899 202.3
[M]+ 393.30377 211.3
[M]- 393.30487 211.3
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.