CID 44256547

14-fluoro-11e-tetradecenyl acetate

Structural Information

Molecular Formula
C16H29FO2
SMILES
CC(=O)OCCCCCCCCCC/C=C/CCF
InChI
InChI=1S/C16H29FO2/c1-16(18)19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-17/h8,10H,2-7,9,11-15H2,1H3/b10-8+
InChIKey
WQIDSIHGEPOWFN-CSKARUKUSA-N
Compound name
[(E)-14-fluorotetradec-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.21515 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22243 171.2
[M+Na]+ 295.20437 174.8
[M-H]- 271.20787 168.3
[M+NH4]+ 290.24897 187.6
[M+K]+ 311.17831 171.7
[M+H-H2O]+ 255.21241 163.9
[M+HCOO]- 317.21335 190.5
[M+CH3COO]- 331.22900 201.7
[M+Na-2H]- 293.18982 171.1
[M]+ 272.21460 175.8
[M]- 272.21570 175.8
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

patents stripe