CID 5363310

14,14,14-trifluoro-11z-tetradecenyl acetate

Structural Information

Molecular Formula
C16H27F3O2
SMILES
CC(=O)OCCCCCCCCCC/C=C\CC(F)(F)F
InChI
InChI=1S/C16H27F3O2/c1-15(20)21-14-12-10-8-6-4-2-3-5-7-9-11-13-16(17,18)19/h9,11H,2-8,10,12-14H2,1H3/b11-9-
InChIKey
QVAHKGHMXZIUOO-LUAWRHEFSA-N
Compound name
[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.19632 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20360 176.6
[M+Na]+ 331.18554 180.8
[M-H]- 307.18904 171.3
[M+NH4]+ 326.23014 191.6
[M+K]+ 347.15948 177.3
[M+H-H2O]+ 291.19358 168.0
[M+HCOO]- 353.19452 192.3
[M+CH3COO]- 367.21017 206.8
[M+Na-2H]- 329.17099 176.0
[M]+ 308.19577 178.1
[M]- 308.19687 178.1
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