CID 707700

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

Structural Information

Molecular Formula
C19H13ClO3
SMILES
CCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H13ClO3/c1-2-11-7-19(21)23-18-9-17-15(8-14(11)18)16(10-22-17)12-3-5-13(20)6-4-12/h3-10H,2H2,1H3
InChIKey
JGRYAQCUSKYMAX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-ethylfuro[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 173.4
[M+Na]+ 347.04455 187.4
[M-H]- 323.04805 184.8
[M+NH4]+ 342.08915 190.5
[M+K]+ 363.01849 182.9
[M+H-H2O]+ 307.05259 167.1
[M+HCOO]- 369.05353 191.9
[M+CH3COO]- 383.06918 187.5
[M+Na-2H]- 345.03000 179.7
[M]+ 324.05478 183.0
[M]- 324.05588 183.0
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.