CID 19891

3-phenyl-1-thiophen-2-ylprop-2-en-1-one

Structural Information

Molecular Formula
C13H10OS
SMILES
C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2
InChI
InChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H
InChIKey
DDNPADUKGZMCHV-UHFFFAOYSA-N
Compound name
3-phenyl-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

175
Patents

214.04524 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05252 147.6
[M+Na]+ 237.03446 160.5
[M+NH4]+ 232.07906 157.3
[M+K]+ 253.00840 152.3
[M-H]- 213.03796 151.9
[M+Na-2H]- 235.01991 155.8
[M]+ 214.04469 151.2
[M]- 214.04579 151.2
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

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