CID 1858518

6-chloro-7-[(4-methoxybenzyl)oxy]-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C23H17ClO4
SMILES
COC1=CC=C(C=C1)COC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl
InChI
InChI=1S/C23H17ClO4/c1-26-17-9-7-15(8-10-17)14-27-22-13-21-19(11-20(22)24)18(12-23(25)28-21)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKey
LIYQAPYXGSELKJ-UHFFFAOYSA-N
Compound name
6-chloro-7-[(4-methoxyphenyl)methoxy]-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.08154 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08882 190.9
[M+Na]+ 415.07076 211.2
[M+NH4]+ 410.11536 200.1
[M+K]+ 431.04470 200.4
[M-H]- 391.07426 200.3
[M+Na-2H]- 413.05621 202.1
[M]+ 392.08099 197.3
[M]- 392.08209 197.3
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.