CID 5377516

2'-hydroxy-5'-chlorochalcone

Structural Information

Molecular Formula
C15H11ClO2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
InChIKey
GVKYSLWFMZCXBQ-SOFGYWHQSA-N
Compound name
(E)-1-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

60
Patents

258.04477 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05205 155.0
[M+Na]+ 281.03399 163.9
[M-H]- 257.03749 160.6
[M+NH4]+ 276.07859 172.1
[M+K]+ 297.00793 157.4
[M+H-H2O]+ 241.04203 149.0
[M+HCOO]- 303.04297 173.0
[M+CH3COO]- 317.05862 191.1
[M+Na-2H]- 279.01944 159.1
[M]+ 258.04422 156.4
[M]- 258.04532 156.4
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