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
2
Annotation Hits

0
References

5
Patents

236.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 155.3
[M+Na]+ 259.109338 161.0
[M-H]- 235.112844 161.2
[M+NH4]+ 254.153943 172.4
[M+K]+ 275.083278 156.1
[M+H-H2O]+ 219.117380 147.6
[M+HCOO]- 281.118321 178.3
[M+CH3COO]- 295.133971 191.7
[M+Na-2H]- 257.094786 160.5
[M]+ 236.11957142 154.7
[M]- 236.12066858 154.7
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