CID 5293152

6332-22-5

Structural Information

Molecular Formula
C15H10BrClO
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C15H10BrClO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H/b10-3+
InChIKey
HYCQSDMDGCPEPI-XCVCLJGOSA-N
Compound name
(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

319.96036 Da
Monoisotopic Mass

4.4
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

patents stripe