CID 5708424

81878-54-8

Structural Information

Molecular Formula
C21H16O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H16O/c22-21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16H/b16-11+
InChIKey
LTWFSMHHLMTFFU-LFIBNONCSA-N
Compound name
(E)-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

284.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.127396 167.7
[M+Na]+ 307.109338 173.8
[M-H]- 283.112844 176.8
[M+NH4]+ 302.153943 182.4
[M+K]+ 323.083278 167.4
[M+H-H2O]+ 267.117380 158.5
[M+HCOO]- 329.118321 190.5
[M+CH3COO]- 343.133971 179.0
[M+Na-2H]- 305.094786 172.4
[M]+ 284.11957142 166.0
[M]- 284.12066858 166.0
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