CID 267432

2-(benzoylmethyl)-2-phenyl-1,3-indandione

Structural Information

Molecular Formula
C23H16O3
SMILES
C1=CC=C(C=C1)C(=O)CC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H16O3/c24-20(16-9-3-1-4-10-16)15-23(17-11-5-2-6-12-17)21(25)18-13-7-8-14-19(18)22(23)26/h1-14H,15H2
InChIKey
RMDJHCGTHAGOQD-UHFFFAOYSA-N
Compound name
2-phenacyl-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.117226 181.6
[M+Na]+ 363.099168 189.9
[M-H]- 339.102674 192.6
[M+NH4]+ 358.143773 199.0
[M+K]+ 379.073108 183.8
[M+H-H2O]+ 323.107210 172.9
[M+HCOO]- 385.108151 203.4
[M+CH3COO]- 399.123801 193.2
[M+Na-2H]- 361.084616 183.9
[M]+ 340.10940142 182.1
[M]- 340.11049858 182.1
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

No patent data available for this compound.