CID 137905

3363-97-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

227
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

literature stripe

Patent stripe

patents stripe