CID 5355679

1-(4-phenoxyphenyl)-3-phenyl-2-propen-1-one

Structural Information

Molecular Formula
C21H16O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H16O2/c22-21(16-11-17-7-3-1-4-8-17)18-12-14-20(15-13-18)23-19-9-5-2-6-10-19/h1-16H/b16-11+
InChIKey
QZENWWUJBKYHFS-LFIBNONCSA-N
Compound name
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

300.11502 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 171.3
[M+Na]+ 323.10424 177.3
[M-H]- 299.10774 180.4
[M+NH4]+ 318.14884 185.3
[M+K]+ 339.07818 171.6
[M+H-H2O]+ 283.11228 161.9
[M+HCOO]- 345.11322 194.3
[M+CH3COO]- 359.12887 202.8
[M+Na-2H]- 321.08969 176.0
[M]+ 300.11447 171.0
[M]- 300.11557 171.0
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