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
1
Annotation Hits

3
References

216
Patents

342.0892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09648 178.0
[M+Na]+ 365.07842 192.4
[M+NH4]+ 360.12302 184.6
[M+K]+ 381.05236 185.7
[M-H]- 341.08192 183.0
[M+Na-2H]- 363.06387 188.1
[M]+ 342.08865 181.4
[M]- 342.08975 181.4
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