CID 6474671

Schembl25195803

Structural Information

Molecular Formula

C₁₆H₁₃FO₃

SMILES

COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC=C2F)O

InChI

InChI=1S/C16H13FO3/c1-20-12-8-5-11(6-9-12)7-10-15(19)16-13(17)3-2-4-14(16)18/h2-10,18H,1H3/b10-7+

InChIKey

VNYYCESQKMCEHJ-JXMROGBWSA-N

Compound name

(E)-1-(2-fluoro-6-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 272.08487 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]+	273.09215	159.3
[M+Na]+	295.07409	167.6
[M-H]-	271.07759	163.8
[M+NH4]+	290.11869	174.9
[M+K]+	311.04803	163.0
[M+H-H2O]+	255.08213	151.2
[M+HCOO]-	317.08307	180.5
[M+CH3COO]-	331.09872	196.3
[M+Na-2H]-	293.05954	161.9
[M]+	272.08432	159.5
[M]-	272.08542	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe