CID 2789347

7-[2-(4-chlorophenyl)-2-oxoethoxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H15ClO4
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClO4/c21-13-6-4-12(5-7-13)18(22)11-24-14-8-9-16-15-2-1-3-17(15)20(23)25-19(16)10-14/h4-10H,1-3,11H2
InChIKey
BOPRPCFRHRVLGG-UHFFFAOYSA-N
Compound name
7-[2-(4-chlorophenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.0659 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07318 180.0
[M+Na]+ 377.05512 190.0
[M-H]- 353.05862 189.5
[M+NH4]+ 372.09972 196.2
[M+K]+ 393.02906 185.1
[M+H-H2O]+ 337.06316 173.1
[M+HCOO]- 399.06410 195.6
[M+CH3COO]- 413.07975 191.9
[M+Na-2H]- 375.04057 183.1
[M]+ 354.06535 186.1
[M]- 354.06645 186.1
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.