CID 3654430

2-(2,4-dichlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C14H10Cl2O4
SMILES
C1=CC(=C(C=C1Cl)Cl)CC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C14H10Cl2O4/c15-8-2-1-7(10(16)4-8)3-11(18)14-12(19)5-9(17)6-13(14)20/h1-2,4-6,17,19-20H,3H2
InChIKey
UWHPVOXQTNTGRM-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.9956 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.00288 160.6
[M+Na]+ 334.98482 171.3
[M-H]- 310.98832 164.1
[M+NH4]+ 330.02942 175.3
[M+K]+ 350.95876 164.6
[M+H-H2O]+ 294.99286 156.5
[M+HCOO]- 356.99380 171.1
[M+CH3COO]- 371.00945 197.3
[M+Na-2H]- 332.97027 161.8
[M]+ 311.99505 164.3
[M]- 311.99615 164.3
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.