CID 707670

3-(4-chlorophenyl)-5,6-dimethyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C19H13ClO3
SMILES
CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C19H13ClO3/c1-10-11(2)19(21)23-18-8-17-15(7-14(10)18)16(9-22-17)12-3-5-13(20)6-4-12/h3-9H,1-2H3
InChIKey
UFJVVFFKQIOFJU-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.05533 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06261 169.9
[M+Na]+ 347.04455 190.2
[M+NH4]+ 342.08915 180.2
[M+K]+ 363.01849 182.5
[M-H]- 323.04805 178.9
[M+Na-2H]- 345.03000 178.2
[M]+ 324.05478 176.2
[M]- 324.05588 176.2
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.