CID 74536

2,3-diphenyl-1-indenone

Structural Information

Molecular Formula
C21H14O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H14O/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(21)16-11-5-2-6-12-16/h1-14H
InChIKey
POVRXYLNLVVNGW-UHFFFAOYSA-N
Compound name
2,3-diphenylinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

300
Patents

282.10446 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.111736 165.6
[M+Na]+ 305.093678 174.9
[M-H]- 281.097184 176.8
[M+NH4]+ 300.138283 183.9
[M+K]+ 321.067618 168.2
[M+H-H2O]+ 265.101720 157.4
[M+HCOO]- 327.102661 189.8
[M+CH3COO]- 341.118311 178.6
[M+Na-2H]- 303.079126 170.1
[M]+ 282.10391142 165.7
[M]- 282.10500858 165.7
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