CID 64671

Tetradecyl benzoate

Structural Information

Molecular Formula
C21H34O2
SMILES
CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3
InChIKey
YQOBYINWABKLFC-UHFFFAOYSA-N
Compound name
tetradecyl benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

250
Patents

318.2559 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.26318 185.3
[M+Na]+ 341.24512 187.6
[M-H]- 317.24862 186.6
[M+NH4]+ 336.28972 199.6
[M+K]+ 357.21906 183.6
[M+H-H2O]+ 301.25316 177.1
[M+HCOO]- 363.25410 205.5
[M+CH3COO]- 377.26975 210.7
[M+Na-2H]- 339.23057 185.6
[M]+ 318.25535 191.0
[M]- 318.25645 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe