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

literature stripe

Patent stripe

patents stripe