CID 78400634

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

Structural Information

Molecular Formula
C15H10Cl2O2
SMILES
C1=CC(=CC=C1C(=O)C=CC2=C(C=CC(=C2)Cl)O)Cl
InChI
InChI=1S/C15H10Cl2O2/c16-12-4-1-10(2-5-12)14(18)7-3-11-9-13(17)6-8-15(11)19/h1-9,19H
InChIKey
FDICQHLLNKLPEY-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0058 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01308 160.1
[M+Na]+ 314.99502 170.2
[M-H]- 290.99852 165.3
[M+NH4]+ 310.03962 176.5
[M+K]+ 330.96896 162.6
[M+H-H2O]+ 275.00306 155.0
[M+HCOO]- 337.00400 172.9
[M+CH3COO]- 351.01965 196.8
[M+Na-2H]- 312.98047 162.7
[M]+ 292.00525 163.2
[M]- 292.00635 163.2
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.