CID 678875

6-chloro-7-ethoxy-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C17H13ClO3
SMILES
CCOC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl
InChI
InChI=1S/C17H13ClO3/c1-2-20-16-10-15-13(8-14(16)18)12(9-17(19)21-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKey
TWMWJTCLGKJWGD-UHFFFAOYSA-N
Compound name
6-chloro-7-ethoxy-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.05533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06261 164.0
[M+Na]+ 323.04455 182.8
[M+NH4]+ 318.08915 173.8
[M+K]+ 339.01849 173.3
[M-H]- 299.04805 171.2
[M+Na-2H]- 321.03000 173.8
[M]+ 300.05478 169.5
[M]- 300.05588 169.5
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.