CID 6479057

133567-73-4

Structural Information

Molecular Formula

C₁₇H₁₁ClO₂

SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11ClO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H/b10-7+

InChIKey

AJMJHCQXIRINSY-JXMROGBWSA-N

Compound name

2-[(E)-2-(4-chlorophenyl)ethenyl]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 282.04477 Da
Monoisotopic Mass: 4.8
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]+	283.05205	161.1
[M+Na]+	305.03399	172.3
[M-H]-	281.03749	169.8
[M+NH4]+	300.07859	177.8
[M+K]+	321.00793	166.3
[M+H-H2O]+	265.04203	154.0
[M+HCOO]-	327.04297	179.5
[M+CH3COO]-	341.05862	174.4
[M+Na-2H]-	303.01944	168.6
[M]+	282.04422	165.4
[M]-	282.04532	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe