CID 10034

Methyl 18-fluorooctadecanoate

Structural Information

Molecular Formula
C19H37FO2
SMILES
COC(=O)CCCCCCCCCCCCCCCCCF
InChI
InChI=1S/C19H37FO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-18H2,1H3
InChIKey
CYLLSGSDEOHZKK-UHFFFAOYSA-N
Compound name
methyl 18-fluorooctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.27777 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.28505 186.3
[M+Na]+ 339.26699 188.3
[M-H]- 315.27049 182.8
[M+NH4]+ 334.31159 200.9
[M+K]+ 355.24093 185.0
[M+H-H2O]+ 299.27503 178.3
[M+HCOO]- 361.27597 204.4
[M+CH3COO]- 375.29162 212.1
[M+Na-2H]- 337.25244 184.5
[M]+ 316.27722 192.8
[M]- 316.27832 192.8
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.