CID 746328

7-ethoxy-3-phenoxy-4h-chromen-4-one

Structural Information

Molecular Formula
C17H14O4
SMILES
CCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-2-19-13-8-9-14-15(10-13)20-11-16(17(14)18)21-12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
JPXZTBOIRRQSGQ-UHFFFAOYSA-N
Compound name
7-ethoxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.2
[M+Na]+ 305.078418 170.8
[M-H]- 281.081924 170.1
[M+NH4]+ 300.123023 176.8
[M+K]+ 321.052358 168.5
[M+H-H2O]+ 265.086460 152.8
[M+HCOO]- 327.087401 184.4
[M+CH3COO]- 341.103051 199.8
[M+Na-2H]- 303.063866 169.4
[M]+ 282.08865142 166.7
[M]- 282.08974858 166.7
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.