CID 9851

Ethyl 16-fluorohexadecanoate

Structural Information

Molecular Formula
C18H35FO2
SMILES
CCOC(=O)CCCCCCCCCCCCCCCF
InChI
InChI=1S/C18H35FO2/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2-17H2,1H3
InChIKey
NJHLYKCEFTYADU-UHFFFAOYSA-N
Compound name
ethyl 16-fluorohexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.26212 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26940 180.9
[M+Na]+ 325.25134 187.8
[M+NH4]+ 320.29594 185.9
[M+K]+ 341.22528 179.7
[M-H]- 301.25484 178.0
[M+Na-2H]- 323.23679 180.6
[M]+ 302.26157 180.6
[M]- 302.26267 180.6
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.