CID 4275446

2-(2,4-dichlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C15H12Cl2O3
SMILES
COC1=CC(=C(C=C1)C(=O)CC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C15H12Cl2O3/c1-20-11-4-5-12(15(19)8-11)14(18)6-9-2-3-10(16)7-13(9)17/h2-5,7-8,19H,6H2,1H3
InChIKey
CLGCFLXIKFECSA-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.01636 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02364 162.9
[M+Na]+ 333.00558 173.4
[M-H]- 309.00908 168.4
[M+NH4]+ 328.05018 178.9
[M+K]+ 348.97952 167.2
[M+H-H2O]+ 293.01362 157.8
[M+HCOO]- 355.01456 175.8
[M+CH3COO]- 369.03021 201.4
[M+Na-2H]- 330.99103 165.0
[M]+ 310.01581 168.7
[M]- 310.01691 168.7
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.