CID 261372

18380-57-9

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC2=C(C=C1)C(=O)C(CO2)(C3=CC=CC=C3)O
InChI
InChI=1S/C16H14O4/c1-19-12-7-8-13-14(9-12)20-10-16(18,15(13)17)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKey
MIYOIGVLMOMCHT-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxy-3-phenyl-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

270.0892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 158.8
[M+Na]+ 293.07842 167.5
[M-H]- 269.08192 166.2
[M+NH4]+ 288.12302 176.1
[M+K]+ 309.05236 165.2
[M+H-H2O]+ 253.08646 151.5
[M+HCOO]- 315.08740 178.0
[M+CH3COO]- 329.10305 194.6
[M+Na-2H]- 291.06387 166.4
[M]+ 270.08865 159.9
[M]- 270.08975 159.9
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.