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

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

No literature data available for this compound.

Patent stripe

patents stripe