CID 4538437

2,6-dichloro-2'-hydroxychalcone

Structural Information

Molecular Formula
C15H10Cl2O2
SMILES
C1=CC=C(C(=C1)C(=O)C=CC2=C(C=CC=C2Cl)Cl)O
InChI
InChI=1S/C15H10Cl2O2/c16-12-5-3-6-13(17)10(12)8-9-15(19)11-4-1-2-7-14(11)18/h1-9,18H
InChIKey
DBQYHWPRRQKNKQ-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.0058 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01308 161.9
[M+Na]+ 314.99502 178.4
[M+NH4]+ 310.03962 170.6
[M+K]+ 330.96896 169.3
[M-H]- 290.99852 165.8
[M+Na-2H]- 312.98047 170.6
[M]+ 292.00525 166.1
[M]- 292.00635 166.1
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

patents stripe