CID 3023065

3-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)propan-1-one

Structural Information

Molecular Formula
C15H12Cl2O2
SMILES
C1=CC(=CC=C1C(=O)CCC2=C(C=CC(=C2)Cl)O)Cl
InChI
InChI=1S/C15H12Cl2O2/c16-12-4-1-10(2-5-12)14(18)7-3-11-9-13(17)6-8-15(11)19/h1-2,4-6,8-9,19H,3,7H2
InChIKey
MEQOQDZHCOVXMB-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.02142 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02870 160.8
[M+Na]+ 317.01064 170.5
[M-H]- 293.01414 165.9
[M+NH4]+ 312.05524 177.1
[M+K]+ 332.98458 163.5
[M+H-H2O]+ 277.01868 155.6
[M+HCOO]- 339.01962 173.4
[M+CH3COO]- 353.03527 198.2
[M+Na-2H]- 314.99609 163.4
[M]+ 294.02087 164.7
[M]- 294.02197 164.7
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

patents stripe