CID 5397398

7-hydroxy-3-(2-methoxyphenoxy)-4h-chromen-4-one

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H12O5/c1-19-12-4-2-3-5-13(12)21-15-9-20-14-8-10(17)6-7-11(14)16(15)18/h2-9,17H,1H3
InChIKey
CZACKYMYCASXIR-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(2-methoxyphenoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

7
Patents

284.06848 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 160.2
[M+Na]+ 307.05770 176.8
[M+NH4]+ 302.10230 168.3
[M+K]+ 323.03164 169.9
[M-H]- 283.06120 165.9
[M+Na-2H]- 305.04315 168.6
[M]+ 284.06793 164.4
[M]- 284.06903 164.4
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