CID 5709142

2'-hydroxy-2-methoxychalcone

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H14O3/c1-19-16-9-5-2-6-12(16)10-11-15(18)13-7-3-4-8-14(13)17/h2-11,17H,1H3/b11-10+
InChIKey
SNTIPKTZVAKPOX-ZHACJKMWSA-N
Compound name
(E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

13
Patents

254.0943 Da
Monoisotopic Mass

3.9
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