CID 978409

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

Structural Information

Molecular Formula
C19H14Cl2O3
SMILES
C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC4=CC=CC=C4Cl
InChI
InChI=1S/C19H14Cl2O3/c20-15-7-2-1-4-11(15)10-23-18-9-17-14(8-16(18)21)12-5-3-6-13(12)19(22)24-17/h1-2,4,7-9H,3,5-6,10H2
InChIKey
KWWSMNOXDNSNKO-UHFFFAOYSA-N
Compound name
8-chloro-7-[(2-chlorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.032 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.03928 177.3
[M+Na]+ 383.02122 195.4
[M+NH4]+ 378.06582 187.5
[M+K]+ 398.99516 186.9
[M-H]- 359.02472 184.2
[M+Na-2H]- 381.00667 184.5
[M]+ 360.03145 182.8
[M]- 360.03255 182.8
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.