CID 18319149

Hexyldecyl benzoate

Structural Information

Molecular Formula
C23H38O2
SMILES
CCCCCCCCC(CCCCCC)COC(=O)C1=CC=CC=C1
InChI
InChI=1S/C23H38O2/c1-3-5-7-9-10-13-17-21(16-12-8-6-4-2)20-25-23(24)22-18-14-11-15-19-22/h11,14-15,18-19,21H,3-10,12-13,16-17,20H2,1-2H3
InChIKey
FYHVUGCQEFBZTA-UHFFFAOYSA-N
Compound name
2-hexyldecyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

346.28717 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 193.0
[M+Na]+ 369.27639 202.5
[M+NH4]+ 364.32099 199.2
[M+K]+ 385.25033 193.6
[M-H]- 345.27989 194.2
[M+Na-2H]- 367.26184 196.3
[M]+ 346.28662 194.6
[M]- 346.28772 194.6
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

patents stripe