CID 710554

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

Structural Information

Molecular Formula
C17H14O3
SMILES
CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C17H14O3/c1-2-19-13-8-9-14-16(10-13)20-11-15(17(14)18)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
MEIOIMGKPPMDKW-UHFFFAOYSA-N
Compound name
7-ethoxy-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

266.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 158.0
[M+Na]+ 289.083518 167.8
[M-H]- 265.087024 166.9
[M+NH4]+ 284.128123 174.4
[M+K]+ 305.057458 164.8
[M+H-H2O]+ 249.091560 150.0
[M+HCOO]- 311.092501 181.0
[M+CH3COO]- 325.108151 171.5
[M+Na-2H]- 287.068966 166.2
[M]+ 266.09375142 162.1
[M]- 266.09484858 162.1
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

patents stripe