CID 707805

10-(4-chlorophenyl)-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C21H11ClO3
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3OC2=O)OC=C4C5=CC=C(C=C5)Cl
InChI
InChI=1S/C21H11ClO3/c22-13-7-5-12(6-8-13)18-11-24-19-10-20-16(9-17(18)19)14-3-1-2-4-15(14)21(23)25-20/h1-11H
InChIKey
RQVCFCYCMAVXFD-UHFFFAOYSA-N
Compound name
10-(4-chlorophenyl)-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.03967 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.046946 178.2
[M+Na]+ 369.028888 193.4
[M-H]- 345.032394 190.7
[M+NH4]+ 364.073493 194.9
[M+K]+ 385.002828 188.2
[M+H-H2O]+ 329.036930 170.9
[M+HCOO]- 391.037871 196.8
[M+CH3COO]- 405.053521 192.3
[M+Na-2H]- 367.014336 186.5
[M]+ 346.03912142 188.4
[M]- 346.04021858 188.4
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.