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

2
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

patents stripe