CID 5367146

2-hydroxychalcone

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O
InChI
InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
InChIKey
UDOOPSJCRMKSGL-ZHACJKMWSA-N
Compound name
(E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

654
Patents

224.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.090996 149.3
[M+Na]+ 247.072938 156.4
[M-H]- 223.076444 154.7
[M+NH4]+ 242.117543 166.5
[M+K]+ 263.046878 151.7
[M+H-H2O]+ 207.080980 142.3
[M+HCOO]- 269.081921 171.8
[M+CH3COO]- 283.097571 186.2
[M+Na-2H]- 245.058386 154.5
[M]+ 224.08317142 148.0
[M]- 224.08426858 148.0
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