CID 5846014

3-(3,4-dichlorophenyl)-1-(2-thienyl)-2-propen-1-one

Structural Information

Molecular Formula
C13H8Cl2OS
SMILES
C1=CSC(=C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2OS/c14-10-5-3-9(8-11(10)15)4-6-12(16)13-2-1-7-17-13/h1-8H/b6-4+
InChIKey
WYBSEBZDXWKGMZ-GQCTYLIASA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.9673 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.97458 161.2
[M+Na]+ 304.95652 176.0
[M+NH4]+ 300.00112 171.0
[M+K]+ 320.93046 166.5
[M-H]- 280.96002 165.3
[M+Na-2H]- 302.94197 168.7
[M]+ 281.96675 165.6
[M]- 281.96785 165.6
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.