CID 5272641

3-acetyl-2-(3,4-dichlorophenyl)chromen-4-one

Structural Information

Molecular Formula
C17H10Cl2O3
SMILES
CC(=O)C1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl2O3/c1-9(20)15-16(21)11-4-2-3-5-14(11)22-17(15)10-6-7-12(18)13(19)8-10/h2-8H,1H3
InChIKey
ILUNLVCYERHSDK-UHFFFAOYSA-N
Compound name
3-acetyl-2-(3,4-dichlorophenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.0007 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.00798 169.1
[M+Na]+ 354.98992 181.8
[M-H]- 330.99342 177.8
[M+NH4]+ 350.03452 184.6
[M+K]+ 370.96386 176.2
[M+H-H2O]+ 314.99796 163.1
[M+HCOO]- 376.99890 181.6
[M+CH3COO]- 391.01455 182.0
[M+Na-2H]- 352.97537 173.5
[M]+ 332.00015 176.7
[M]- 332.00125 176.7
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.