CID 6719

Diphacinone

Structural Information

Molecular Formula
C23H16O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
InChIKey
JYGLAHSAISAEAL-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylacetyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

88
References

8066
Patents

340.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11723 180.2
[M+Na]+ 363.09917 195.3
[M+NH4]+ 358.14377 188.7
[M+K]+ 379.07311 188.6
[M-H]- 339.10267 186.5
[M+Na-2H]- 361.08462 189.3
[M]+ 340.10940 184.2
[M]- 340.11050 184.2
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