CID 3007420

2-propen-1-one, 2-(phenylmethyl)-1-(3-thienyl)-

Structural Information

Molecular Formula
C14H12OS
SMILES
C=C(CC1=CC=CC=C1)C(=O)C2=CSC=C2
InChI
InChI=1S/C14H12OS/c1-11(9-12-5-3-2-4-6-12)14(15)13-7-8-16-10-13/h2-8,10H,1,9H2
InChIKey
IPBKSFACAOIGOI-UHFFFAOYSA-N
Compound name
2-benzyl-1-thiophen-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.06088 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06816 152.5
[M+Na]+ 251.05010 159.7
[M-H]- 227.05360 159.4
[M+NH4]+ 246.09470 172.5
[M+K]+ 267.02404 155.5
[M+H-H2O]+ 211.05814 146.1
[M+HCOO]- 273.05908 171.2
[M+CH3COO]- 287.07473 187.8
[M+Na-2H]- 249.03555 152.4
[M]+ 228.06033 153.6
[M]- 228.06143 153.6
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.