CID 103916

51583-97-2

Structural Information

Molecular Formula
C23H16O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H16O2/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)15-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h1-14H,15H2
InChIKey
BSYFDFPTOXRGMP-UHFFFAOYSA-N
Compound name
1,3-dinaphthalen-2-ylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

324.11502 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12230 176.4
[M+Na]+ 347.10424 184.0
[M-H]- 323.10774 184.5
[M+NH4]+ 342.14884 191.4
[M+K]+ 363.07818 177.7
[M+H-H2O]+ 307.11228 167.0
[M+HCOO]- 369.11322 196.9
[M+CH3COO]- 383.12887 187.3
[M+Na-2H]- 345.08969 182.6
[M]+ 324.11447 177.8
[M]- 324.11557 177.8
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