CID 226666

1985-37-1

Structural Information

Molecular Formula
C18H10O3
SMILES
C1=CC=C(C=C1)C2=C3C(=CC4=CC=CC=C42)C(=O)OC3=O
InChI
InChI=1S/C18H10O3/c19-17-14-10-12-8-4-5-9-13(12)15(16(14)18(20)21-17)11-6-2-1-3-7-11/h1-10H
InChIKey
LZQGZQKISQRHJH-UHFFFAOYSA-N
Compound name
4-phenylbenzo[f][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

274.063 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07028 159.1
[M+Na]+ 297.05222 175.8
[M+NH4]+ 292.09682 169.0
[M+K]+ 313.02616 169.1
[M-H]- 273.05572 166.0
[M+Na-2H]- 295.03767 166.9
[M]+ 274.06245 163.7
[M]- 274.06355 163.7
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