CID 3386198

3,5-dichloro-2-phenyl-4h-pyran-4-one

Structural Information

Molecular Formula
C11H6Cl2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C(=CO2)Cl)Cl
InChI
InChI=1S/C11H6Cl2O2/c12-8-6-15-11(9(13)10(8)14)7-4-2-1-3-5-7/h1-6H
InChIKey
UOVRKAVJUFQBMG-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-phenylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97449 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98177 144.6
[M+Na]+ 262.96371 163.1
[M+NH4]+ 258.00831 154.6
[M+K]+ 278.93765 154.3
[M-H]- 238.96721 150.9
[M+Na-2H]- 260.94916 155.0
[M]+ 239.97394 150.0
[M]- 239.97504 150.0
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.