CID 5782484

Nsc700125

Structural Information

Molecular Formula
C19H14OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CS3
InChI
InChI=1S/C19H14OS/c20-18(19-7-4-14-21-19)13-10-15-8-11-17(12-9-15)16-5-2-1-3-6-16/h1-14H/b13-10+
InChIKey
PUBVTYYUBAGESR-JLHYYAGUSA-N
Compound name
(E)-3-(4-phenylphenyl)-1-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07654 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08382 168.8
[M+Na]+ 313.06576 176.6
[M-H]- 289.06926 178.8
[M+NH4]+ 308.11036 186.3
[M+K]+ 329.03970 170.2
[M+H-H2O]+ 273.07380 161.3
[M+HCOO]- 335.07474 188.5
[M+CH3COO]- 349.09039 180.9
[M+Na-2H]- 311.05121 169.0
[M]+ 290.07599 170.0
[M]- 290.07709 170.0
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.