CID 6290868

918826-15-0

Structural Information

Molecular Formula
C15H9Cl3O
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H9Cl3O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-9H/b8-3+
InChIKey
WVBCDPQRDWBQMN-FPYGCLRLSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.9719 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.97918 163.2
[M+Na]+ 332.96112 173.7
[M-H]- 308.96462 168.2
[M+NH4]+ 328.00572 179.5
[M+K]+ 348.93506 165.5
[M+H-H2O]+ 292.96916 158.3
[M+HCOO]- 354.97010 171.7
[M+CH3COO]- 368.98575 202.2
[M+Na-2H]- 330.94657 165.1
[M]+ 309.97135 166.9
[M]- 309.97245 166.9
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

No patent data available for this compound.