CID 5973690

220430-82-0

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C16H14O4/c1-20-16-10-11(7-9-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-10,17,19H,1H3/b8-6+
InChIKey
NGQQEEYHKPKSER-SOFGYWHQSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

270.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 161.3
[M+Na]+ 293.07842 174.8
[M+NH4]+ 288.12302 168.0
[M+K]+ 309.05236 168.5
[M-H]- 269.08192 163.8
[M+Na-2H]- 291.06387 168.3
[M]+ 270.08865 163.8
[M]- 270.08975 163.8
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