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]+ 325.062606 173.7
[M+Na]+ 347.044548 188.5
[M-H]- 323.048054 185.4
[M+NH4]+ 342.089153 191.0
[M+K]+ 363.018488 184.0
[M+H-H2O]+ 307.052590 167.5
[M+HCOO]- 369.053531 192.1
[M+CH3COO]- 383.069181 188.1
[M+Na-2H]- 345.029996 179.2
[M]+ 324.05478142 183.7
[M]- 324.05587858 183.7
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.