CID 5356336

2,4'-dichlorochalcone

Structural Information

Molecular Formula
C15H10Cl2O
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H10Cl2O/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+
InChIKey
ALLWUEVPWWNNGO-JXMROGBWSA-N
Compound name
(E)-3-(2-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.01086 Da
Monoisotopic Mass

5.0
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

literature stripe

Patent stripe

patents stripe