CID 978411

8-chloro-7-[(4-methoxybenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H17ClO4
SMILES
COC1=CC=C(C=C1)COC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl
InChI
InChI=1S/C20H17ClO4/c1-23-13-7-5-12(6-8-13)11-24-19-10-18-16(9-17(19)21)14-3-2-4-15(14)20(22)25-18/h5-10H,2-4,11H2,1H3
InChIKey
WPQPNRRHYPPYKL-UHFFFAOYSA-N
Compound name
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08154 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08882 181.2
[M+Na]+ 379.07076 192.1
[M-H]- 355.07426 190.9
[M+NH4]+ 374.11536 197.8
[M+K]+ 395.04470 187.3
[M+H-H2O]+ 339.07880 174.2
[M+HCOO]- 401.07974 197.6
[M+CH3COO]- 415.09539 193.5
[M+Na-2H]- 377.05621 184.7
[M]+ 356.08099 189.0
[M]- 356.08209 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.