CID 244223

70460-49-0

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂O₂

SMILES

C1=CC=C(C=C1)C2(C(C(=O)C3=CC=CC=C3O2)Cl)Cl

InChI

InChI=1S/C15H10Cl2O2/c16-14-13(18)11-8-4-5-9-12(11)19-15(14,17)10-6-2-1-3-7-10/h1-9,14H

InChIKey

VNKBNKLZRVUPCT-UHFFFAOYSA-N

Compound name

2,3-dichloro-2-phenyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 292.0058 Da
Monoisotopic Mass: 4.1
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]+	293.01308	160.2
[M+Na]+	314.99502	171.1
[M-H]-	290.99852	168.0
[M+NH4]+	310.03962	178.8
[M+K]+	330.96896	165.7
[M+H-H2O]+	275.00306	154.4
[M+HCOO]-	337.00400	171.3
[M+CH3COO]-	351.01965	172.9
[M+Na-2H]-	312.98047	167.1
[M]+	292.00525	163.3
[M]-	292.00635	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe