CID 100828

25424-26-4

Structural Information

Molecular Formula
C22H14O4
SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC(=CC=C2)C(=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H
InChIKey
JXFFIJCCFUQFQC-UHFFFAOYSA-N
Compound name
1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

342.0892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.096476 178.7
[M+Na]+ 365.078418 183.4
[M-H]- 341.081924 187.8
[M+NH4]+ 360.123023 190.1
[M+K]+ 381.052358 179.4
[M+H-H2O]+ 325.086460 169.2
[M+HCOO]- 387.087401 199.0
[M+CH3COO]- 401.103051 211.7
[M+Na-2H]- 363.063866 179.6
[M]+ 342.08865142 178.5
[M]- 342.08974858 178.5
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