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 176.1
[M+Na]+ 359.04455 189.7
[M-H]- 335.04805 188.4
[M+NH4]+ 354.08915 195.1
[M+K]+ 375.01849 184.7
[M+H-H2O]+ 319.05259 170.9
[M+HCOO]- 381.05353 193.3
[M+CH3COO]- 395.06918 189.9
[M+Na-2H]- 357.03000 180.2
[M]+ 336.05478 184.2
[M]- 336.05588 184.2
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.