CID 637760

Chalcone

Structural Information

Molecular Formula
C15H12O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-N
Compound name
(E)-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2267
References

34390
Patents

208.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 147.4
[M+Na]+ 231.07804 162.6
[M+NH4]+ 226.12264 156.8
[M+K]+ 247.05198 153.7
[M-H]- 207.08154 152.4
[M+Na-2H]- 229.06349 158.0
[M]+ 208.08827 151.1
[M]- 208.08937 151.1
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