CID 15727

5pfn7ddk5i

Structural Information

Molecular Formula
C30H18O4
SMILES
C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)C4(C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C30H18O4/c31-25-21-15-7-8-16-22(21)26(32)29(25,19-11-3-1-4-12-19)30(20-13-5-2-6-14-20)27(33)23-17-9-10-18-24(23)28(30)34/h1-18H
InChIKey
PHJGSPFWJMKOIG-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-2-phenylinden-2-yl)-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1205 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12778 209.2
[M+Na]+ 465.10972 219.7
[M-H]- 441.11322 224.9
[M+NH4]+ 460.15432 226.8
[M+K]+ 481.08366 211.7
[M+H-H2O]+ 425.11776 199.0
[M+HCOO]- 487.11870 229.7
[M+CH3COO]- 501.13435 219.9
[M+Na-2H]- 463.09517 208.4
[M]+ 442.11995 210.2
[M]- 442.12105 210.2
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

No patent data available for this compound.