CID 5796429

3-bromo-4'-chlorochalcone

Structural Information

Molecular Formula
C15H10BrClO
SMILES
C1=CC(=CC(=C1)Br)/C=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H10BrClO/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(17)8-6-12/h1-10H/b9-4+
InChIKey
CLCKUHZBRBOVTR-RUDMXATFSA-N
Compound name
(E)-3-(3-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.96036 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.96764 161.6
[M+Na]+ 342.94958 173.9
[M-H]- 318.95308 170.7
[M+NH4]+ 337.99418 180.6
[M+K]+ 358.92352 159.5
[M+H-H2O]+ 302.95762 161.7
[M+HCOO]- 364.95856 178.4
[M+CH3COO]- 378.97421 200.8
[M+Na-2H]- 340.93503 167.1
[M]+ 319.95981 181.9
[M]- 319.96091 181.9
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

No patent data available for this compound.