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]+ 341.11723 181.6
[M+Na]+ 363.09917 189.9
[M-H]- 339.10267 192.6
[M+NH4]+ 358.14377 199.0
[M+K]+ 379.07311 183.8
[M+H-H2O]+ 323.10721 172.9
[M+HCOO]- 385.10815 203.4
[M+CH3COO]- 399.12380 193.2
[M+Na-2H]- 361.08462 183.9
[M]+ 340.10940 182.1
[M]- 340.11050 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.