CID 317159

2,6-dichlorochalcone

Structural Information

Molecular Formula
C15H10Cl2O
SMILES
C1=CC=C(C=C1)C(=O)C=CC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C15H10Cl2O/c16-13-7-4-8-14(17)12(13)9-10-15(18)11-5-2-1-3-6-11/h1-10H
InChIKey
DBXDWKVTMRWZDM-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

276.01086 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01814 157.7
[M+Na]+ 299.00008 167.4
[M-H]- 275.00358 163.7
[M+NH4]+ 294.04468 175.1
[M+K]+ 314.97402 159.9
[M+H-H2O]+ 259.00812 152.1
[M+HCOO]- 321.00906 171.7
[M+CH3COO]- 335.02471 196.1
[M+Na-2H]- 296.98553 161.3
[M]+ 276.01031 160.8
[M]- 276.01141 160.8
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