CID 689091

477334-55-7

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC(=C(C=C1O)O)C(=O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-9-2-1-8(12(16)6-9)5-13(18)11-4-3-10(17)7-14(11)19/h1-4,6-7,17,19H,5H2
InChIKey
ISVZIHOQKCBQSD-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0007 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00798 158.4
[M+Na]+ 318.98992 168.9
[M-H]- 294.99342 162.8
[M+NH4]+ 314.03452 174.2
[M+K]+ 334.96386 162.1
[M+H-H2O]+ 278.99796 153.9
[M+HCOO]- 340.99890 170.2
[M+CH3COO]- 355.01455 196.2
[M+Na-2H]- 316.97537 160.6
[M]+ 296.00015 162.0
[M]- 296.00125 162.0
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.