CID 6086427

2,2'-dihydroxy-3-methoxychalcone

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=CC(=C1O)/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H14O4/c1-20-15-8-4-5-11(16(15)19)9-10-14(18)12-6-2-3-7-13(12)17/h2-10,17,19H,1H3/b10-9+
InChIKey
GBAMFFILOSWMOO-MDZDMXLPSA-N
Compound name
(E)-3-(2-hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
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 159.8
[M+Na]+ 293.07842 167.5
[M-H]- 269.08192 164.4
[M+NH4]+ 288.12302 174.8
[M+K]+ 309.05236 163.2
[M+H-H2O]+ 253.08646 152.8
[M+HCOO]- 315.08740 180.8
[M+CH3COO]- 329.10305 193.4
[M+Na-2H]- 291.06387 162.6
[M]+ 270.08865 160.7
[M]- 270.08975 160.7
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