CID 493375

70354-15-3

Structural Information

Molecular Formula

C₁₆H₁₁ClO₃

SMILES

COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3

InChIKey

SQLUWUXBLLPJIY-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-7-methoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 286.03967 Da
Monoisotopic Mass: 4.6
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]+	287.04695	160.1
[M+Na]+	309.02889	172.1
[M-H]-	285.03239	169.4
[M+NH4]+	304.07349	176.9
[M+K]+	325.00283	167.8
[M+H-H2O]+	269.03693	153.2
[M+HCOO]-	331.03787	178.9
[M+CH3COO]-	345.05352	174.0
[M+Na-2H]-	307.01434	167.6
[M]+	286.03912	166.7
[M]-	286.04022	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe