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 181.8
[M+Na]+ 325.25134 184.2
[M-H]- 301.25484 178.5
[M+NH4]+ 320.29594 197.0
[M+K]+ 341.22528 181.1
[M+H-H2O]+ 285.25938 174.0
[M+HCOO]- 347.26032 200.2
[M+CH3COO]- 361.27597 209.2
[M+Na-2H]- 323.23679 180.5
[M]+ 302.26157 187.9
[M]- 302.26267 187.9
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.