CID 6172613

5-phenyl-1-(2-thienyl)-2,4-pentadien-1-one

Structural Information

Molecular Formula
C15H12OS
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=CS2
InChI
InChI=1S/C15H12OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-12H/b9-4+,10-5+
InChIKey
WDGJTVOZMOYTKN-LUZURFALSA-N
Compound name
(2E,4E)-5-phenyl-1-thiophen-2-ylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.06088 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06816 156.3
[M+Na]+ 263.05010 168.8
[M+NH4]+ 258.09470 165.3
[M+K]+ 279.02404 160.0
[M-H]- 239.05360 160.2
[M+Na-2H]- 261.03555 163.8
[M]+ 240.06033 159.6
[M]- 240.06143 159.6
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

patents stripe