CID 641819

4-methoxychalcone

Structural Information

Molecular Formula
C16H14O2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey
XUFXKBJMCRJATM-FMIVXFBMSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

609
Patents

238.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 154.6
[M+Na]+ 261.08860 169.5
[M+NH4]+ 256.13320 163.2
[M+K]+ 277.06254 161.0
[M-H]- 237.09210 159.1
[M+Na-2H]- 259.07405 164.2
[M]+ 238.09883 158.1
[M]- 238.09993 158.1
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