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]+ 301.062606 165.0
[M+Na]+ 323.044548 176.5
[M-H]- 299.048054 174.0
[M+NH4]+ 318.089153 181.2
[M+K]+ 339.018488 172.0
[M+H-H2O]+ 283.052590 157.8
[M+HCOO]- 345.053531 183.4
[M+CH3COO]- 359.069181 178.4
[M+Na-2H]- 321.029996 171.9
[M]+ 300.05478142 171.9
[M]- 300.05587858 171.9
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.