CID 513100

3-[(4-hydroxyphenyl)methyl]chromen-4-one

Structural Information

Molecular Formula
C16H12O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H12O3/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-8,10,17H,9H2
InChIKey
KLKCFFAFJPRIBA-UHFFFAOYSA-N
Compound name
3-[(4-hydroxyphenyl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

252.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.085916 153.5
[M+Na]+ 275.067858 163.3
[M-H]- 251.071364 161.3
[M+NH4]+ 270.112463 169.7
[M+K]+ 291.041798 159.7
[M+H-H2O]+ 235.075900 146.0
[M+HCOO]- 297.076841 175.4
[M+CH3COO]- 311.092491 166.7
[M+Na-2H]- 273.053306 161.8
[M]+ 252.07809142 155.5
[M]- 252.07918858 155.5
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.