CID 3007406

2-propen-1-one, 2-phenyl-1-(2-thienyl)-

Structural Information

Molecular Formula
C13H10OS
SMILES
C=C(C1=CC=CC=C1)C(=O)C2=CC=CS2
InChI
InChI=1S/C13H10OS/c1-10(11-6-3-2-4-7-11)13(14)12-8-5-9-15-12/h2-9H,1H2
InChIKey
SYULNVQABCAECY-UHFFFAOYSA-N
Compound name
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.04524 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05252 147.9
[M+Na]+ 237.03446 155.6
[M-H]- 213.03796 155.1
[M+NH4]+ 232.07906 168.5
[M+K]+ 253.00840 151.7
[M+H-H2O]+ 197.04250 141.8
[M+HCOO]- 259.04344 166.9
[M+CH3COO]- 273.05909 184.8
[M+Na-2H]- 235.01991 148.4
[M]+ 214.04469 148.7
[M]- 214.04579 148.7
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

No patent data available for this compound.