CID 707715

9-(4-chlorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H13ClO3
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=C4C(=C3)OC=C4C5=CC=C(C=C5)Cl
InChI
InChI=1S/C20H13ClO3/c21-12-6-4-11(5-7-12)17-10-23-18-9-19-15(8-16(17)18)13-2-1-3-14(13)20(22)24-19/h4-10H,1-3H2
InChIKey
RFZLQZQWAHMOII-UHFFFAOYSA-N
Compound name
14-(4-chlorophenyl)-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.05533 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06261 171.6
[M+Na]+ 359.04455 190.3
[M+NH4]+ 354.08915 182.6
[M+K]+ 375.01849 184.4
[M-H]- 335.04805 180.5
[M+Na-2H]- 357.03000 178.4
[M]+ 336.05478 177.6
[M]- 336.05588 177.6
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.