CID 54695630

5526-38-5

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=O)O2)O
InChI
InChI=1S/C11H8O3/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKey
UWCSWBPHENSQNW-UHFFFAOYSA-N
Compound name
4-hydroxy-6-phenylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

188.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 134.9
[M+Na]+ 211.03657 144.7
[M-H]- 187.04007 142.0
[M+NH4]+ 206.08117 152.8
[M+K]+ 227.01051 142.7
[M+H-H2O]+ 171.04461 128.5
[M+HCOO]- 233.04555 158.8
[M+CH3COO]- 247.06120 178.1
[M+Na-2H]- 209.02202 143.7
[M]+ 188.04680 136.2
[M]- 188.04790 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.