CID 69477

Phenyl stearate

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
InChIKey
NUMNZKICGJJSHN-UHFFFAOYSA-N
Compound name
phenyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

907
Patents

360.30283 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 197.6
[M+Na]+ 383.29205 207.2
[M+NH4]+ 378.33665 203.7
[M+K]+ 399.26599 197.3
[M-H]- 359.29555 198.9
[M+Na-2H]- 381.27750 200.9
[M]+ 360.30228 199.2
[M]- 360.30338 199.2
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