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 165.0
[M+Na]+ 323.04455 176.5
[M-H]- 299.04805 174.0
[M+NH4]+ 318.08915 181.2
[M+K]+ 339.01849 172.0
[M+H-H2O]+ 283.05259 157.8
[M+HCOO]- 345.05353 183.4
[M+CH3COO]- 359.06918 178.4
[M+Na-2H]- 321.03000 171.9
[M]+ 300.05478 171.9
[M]- 300.05588 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.