CID 5399630

137988-00-2

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C16H12O5/c1-19-11-3-2-4-12(8-11)21-15-9-20-14-7-10(17)5-6-13(14)16(15)18/h2-9,17H,1H3
InChIKey
KWGMDIDUQWHRMQ-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(3-methoxyphenoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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 159.7
[M+Na]+ 307.05770 170.0
[M-H]- 283.06120 167.8
[M+NH4]+ 302.10230 174.7
[M+K]+ 323.03164 167.9
[M+H-H2O]+ 267.06574 151.8
[M+HCOO]- 329.06668 181.8
[M+CH3COO]- 343.08233 198.0
[M+Na-2H]- 305.04315 167.4
[M]+ 284.06793 165.0
[M]- 284.06903 165.0
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