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 144.1
[M+Na]+ 262.96371 156.3
[M-H]- 238.96721 151.7
[M+NH4]+ 258.00831 162.2
[M+K]+ 278.93765 151.6
[M+H-H2O]+ 222.97175 139.1
[M+HCOO]- 284.97269 159.4
[M+CH3COO]- 298.98834 158.5
[M+Na-2H]- 260.94916 151.2
[M]+ 239.97394 149.5
[M]- 239.97504 149.5
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.