CID 520495

4,6-dibenzoylresorcinol

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2O)O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H14O4/c21-17-12-18(22)16(20(24)14-9-5-2-6-10-14)11-15(17)19(23)13-7-3-1-4-8-13/h1-12,21-22H
InChIKey
GOZHNJTXLALKRL-UHFFFAOYSA-N
Compound name
(5-benzoyl-2,4-dihydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8693
Patents

318.0892 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09648 172.4
[M+Na]+ 341.07842 179.0
[M-H]- 317.08192 179.8
[M+NH4]+ 336.12302 184.5
[M+K]+ 357.05236 174.0
[M+H-H2O]+ 301.08646 163.8
[M+HCOO]- 363.08740 192.1
[M+CH3COO]- 377.10305 203.3
[M+Na-2H]- 339.06387 174.3
[M]+ 318.08865 171.3
[M]- 318.08975 171.3
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