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]+ 253.08592 153.5
[M+Na]+ 275.06786 163.3
[M-H]- 251.07136 161.3
[M+NH4]+ 270.11246 169.7
[M+K]+ 291.04180 159.7
[M+H-H2O]+ 235.07590 146.0
[M+HCOO]- 297.07684 175.4
[M+CH3COO]- 311.09249 166.7
[M+Na-2H]- 273.05331 161.8
[M]+ 252.07809 155.5
[M]- 252.07919 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.