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

4
Patents

240.06088 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.068156 156.3
[M+Na]+ 263.050098 163.9
[M-H]- 239.053604 163.1
[M+NH4]+ 258.094703 176.0
[M+K]+ 279.024038 158.4
[M+H-H2O]+ 223.058140 149.8
[M+HCOO]- 285.059081 176.0
[M+CH3COO]- 299.074731 187.8
[M+Na-2H]- 261.035546 156.8
[M]+ 240.06033142 157.6
[M]- 240.06142858 157.6
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

patents stripe