CID 10034

463-29-6

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]+ 317.285046 186.3
[M+Na]+ 339.266988 188.3
[M-H]- 315.270494 182.8
[M+NH4]+ 334.311593 200.9
[M+K]+ 355.240928 185.0
[M+H-H2O]+ 299.275030 178.3
[M+HCOO]- 361.275971 204.4
[M+CH3COO]- 375.291621 212.1
[M+Na-2H]- 337.252436 184.5
[M]+ 316.27722142 192.8
[M]- 316.27831858 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.