CID 292087

2,4-dichloro-4'-methylchalcone

Structural Information

Molecular Formula
C16H12Cl2O
SMILES
CC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl2O/c1-11-2-4-13(5-3-11)16(19)9-7-12-6-8-14(17)10-15(12)18/h2-10H,1H3
InChIKey
NWGJYNXIZXDHRB-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

290.02652 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03380 161.6
[M+Na]+ 313.01574 171.8
[M-H]- 289.01924 167.9
[M+NH4]+ 308.06034 178.9
[M+K]+ 328.98968 164.2
[M+H-H2O]+ 273.02378 156.1
[M+HCOO]- 335.02472 175.3
[M+CH3COO]- 349.04037 200.2
[M+Na-2H]- 311.00119 164.1
[M]+ 290.02597 165.5
[M]- 290.02707 165.5
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