CID 5709439

(2e)-1-(2-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula

C₁₅H₁₁ClO₂

SMILES

C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)O)Cl

InChI

InChI=1S/C15H11ClO2/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10,17H/b10-7+

InChIKey

FDGQCKIOOCJPLO-JXMROGBWSA-N

Compound name

(E)-1-(2-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 258.04477 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.052046	155.0
[M+Na]+	281.033988	163.9
[M-H]-	257.037494	160.6
[M+NH4]+	276.078593	172.1
[M+K]+	297.007928	157.4
[M+H-H2O]+	241.042030	149.0
[M+HCOO]-	303.042971	173.0
[M+CH3COO]-	317.058621	191.1
[M+Na-2H]-	279.019436	159.1
[M]+	258.04422142	156.4
[M]-	258.04531858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe