CID 108852

59867-68-4

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(Cl)Cl

InChI

InChI=1S/C14H10Cl2O2/c15-14(16)13(17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9,14H

InChIKey

JHGGYGMFCRSWIZ-UHFFFAOYSA-N

Compound name

2,2-dichloro-1-(4-phenoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5482
Patents: 280.0058 Da
Monoisotopic Mass: 4.5
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]+	281.01308	156.4
[M+Na]+	302.99502	164.9
[M-H]-	278.99852	162.4
[M+NH4]+	298.03962	173.3
[M+K]+	318.96896	159.2
[M+H-H2O]+	263.00306	150.7
[M+HCOO]-	325.00400	169.9
[M+CH3COO]-	339.01965	196.3
[M+Na-2H]-	300.98047	160.3
[M]+	280.00525	160.5
[M]-	280.00635	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe