CID 3007405

2-propen-1-one, 2-(4-chlorophenyl)-1-(2-thienyl)-

Structural Information

Molecular Formula
C13H9ClOS
SMILES
C=C(C1=CC=C(C=C1)Cl)C(=O)C2=CC=CS2
InChI
InChI=1S/C13H9ClOS/c1-9(10-4-6-11(14)7-5-10)13(15)12-3-2-8-16-12/h2-8H,1H2
InChIKey
JHTIFWKXTUMGIY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.00627 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01355 154.0
[M+Na]+ 270.99549 163.2
[M-H]- 246.99899 161.4
[M+NH4]+ 266.04009 174.4
[M+K]+ 286.96943 157.5
[M+H-H2O]+ 231.00353 148.8
[M+HCOO]- 293.00447 168.4
[M+CH3COO]- 307.02012 189.6
[M+Na-2H]- 268.98094 153.4
[M]+ 248.00572 157.2
[M]- 248.00682 157.2
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.