CID 21738089

4-benzoylphenyl dodecanoate

Structural Information

Molecular Formula
C25H32O3
SMILES
CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C25H32O3/c1-2-3-4-5-6-7-8-9-13-16-24(26)28-23-19-17-22(18-20-23)25(27)21-14-11-10-12-15-21/h10-12,14-15,17-20H,2-9,13,16H2,1H3
InChIKey
FDHGNZHRYOAXEX-UHFFFAOYSA-N
Compound name
(4-benzoylphenyl) dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

380.23514 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.24242 197.9
[M+Na]+ 403.22436 209.9
[M+NH4]+ 398.26896 204.2
[M+K]+ 419.19830 200.8
[M-H]- 379.22786 201.2
[M+Na-2H]- 401.20981 204.2
[M]+ 380.23459 200.5
[M]- 380.23569 200.5
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