CID 983925

8-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H14Cl2O5
SMILES
C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC4=CC5=C(C=C4Cl)OCO5
InChI
InChI=1S/C20H14Cl2O5/c21-14-6-19-18(25-9-26-19)4-10(14)8-24-17-7-16-13(5-15(17)22)11-2-1-3-12(11)20(23)27-16/h4-7H,1-3,8-9H2
InChIKey
LTNWVYQBGHWGGF-UHFFFAOYSA-N
Compound name
8-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.02182 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.02910 192.0
[M+Na]+ 427.01104 204.3
[M-H]- 403.01454 203.5
[M+NH4]+ 422.05564 207.2
[M+K]+ 442.98498 201.2
[M+H-H2O]+ 387.01908 187.7
[M+HCOO]- 449.02002 200.4
[M+CH3COO]- 463.03567 203.8
[M+Na-2H]- 424.99649 193.5
[M]+ 404.02127 202.3
[M]- 404.02237 202.3
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.