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
2
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 195.0
[M+Na]+ 369.27639 196.2
[M-H]- 345.27989 196.0
[M+NH4]+ 364.32099 208.0
[M+K]+ 385.25033 192.1
[M+H-H2O]+ 329.28443 186.5
[M+HCOO]- 391.28537 213.5
[M+CH3COO]- 405.30102 217.4
[M+Na-2H]- 367.26184 193.0
[M]+ 346.28662 200.8
[M]- 346.28772 200.8
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