CID 5906989

Nsc700206

Structural Information

Molecular Formula

C₂₁H₁₆O

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2/C=C/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16O/c22-21(19-12-5-2-6-13-19)16-15-18-11-7-8-14-20(18)17-9-3-1-4-10-17/h1-16H/b16-15+

InChIKey

QNCVIMGJHDEDAS-FOCLMDBBSA-N

Compound name

(E)-1-phenyl-3-(2-phenylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 284.12012 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe