CID 5369804

1,5-diphenyl-4-penten-1-one

Structural Information

Molecular Formula
C17H16O
SMILES
C1=CC=C(C=C1)/C=C/CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-7,9-13H,8,14H2/b11-7+
InChIKey
FZVGNXFZRZIAKO-YRNVUSSQSA-N
Compound name
(E)-1,5-diphenylpent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12740 156.6
[M+Na]+ 259.10934 171.3
[M+NH4]+ 254.15394 165.6
[M+K]+ 275.08328 161.9
[M-H]- 235.11284 161.5
[M+Na-2H]- 257.09479 166.6
[M]+ 236.11957 160.2
[M]- 236.12067 160.2
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