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]+ 347.04695 178.2
[M+Na]+ 369.02889 193.4
[M-H]- 345.03239 190.7
[M+NH4]+ 364.07349 194.9
[M+K]+ 385.00283 188.2
[M+H-H2O]+ 329.03693 170.9
[M+HCOO]- 391.03787 196.8
[M+CH3COO]- 405.05352 192.3
[M+Na-2H]- 367.01434 186.5
[M]+ 346.03912 188.4
[M]- 346.04022 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.