CID 13842401

4'-hydroxy-2'-methoxychalcone

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H14O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-11,17H,1H3/b10-7+
InChIKey
VLEOOBKBMSIDKF-JXMROGBWSA-N
Compound name
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

254.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 156.7
[M+Na]+ 277.08352 164.1
[M-H]- 253.08702 162.3
[M+NH4]+ 272.12812 172.9
[M+K]+ 293.05746 160.0
[M+H-H2O]+ 237.09156 149.5
[M+HCOO]- 299.09250 179.0
[M+CH3COO]- 313.10815 192.4
[M+Na-2H]- 275.06897 160.7
[M]+ 254.09375 157.6
[M]- 254.09485 157.6
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