CID 5356388

4-phenylchalcone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

284.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12740 167.7
[M+Na]+ 307.10934 173.8
[M-H]- 283.11284 176.8
[M+NH4]+ 302.15394 182.4
[M+K]+ 323.08328 167.4
[M+H-H2O]+ 267.11738 158.5
[M+HCOO]- 329.11832 190.5
[M+CH3COO]- 343.13397 179.0
[M+Na-2H]- 305.09479 172.4
[M]+ 284.11957 166.0
[M]- 284.12067 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