CID 569556

4-(benzoyloxy)phenyl benzoate

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H14O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-14H
InChIKey
KOAWERFKPZHNNY-UHFFFAOYSA-N
Compound name
(4-benzoyloxyphenyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

249
Patents

318.0892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.096476 173.4
[M+Na]+ 341.078418 179.2
[M-H]- 317.081924 182.8
[M+NH4]+ 336.123023 186.4
[M+K]+ 357.052358 175.7
[M+H-H2O]+ 301.086460 163.8
[M+HCOO]- 363.087401 196.1
[M+CH3COO]- 377.103051 204.2
[M+Na-2H]- 339.063866 177.5
[M]+ 318.08865142 174.8
[M]- 318.08974858 174.8
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