CID 514862

99922-96-0

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

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

InChI

InChI=1S/C14H10Cl2O2/c1-9(17)10-2-4-11(5-3-10)18-12-6-7-13(15)14(16)8-12/h2-8H,1H3

InChIKey

LCIWRRRBZKQFFC-UHFFFAOYSA-N

Compound name

1-[4-(3,4-dichlorophenoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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	156.0
[M+Na]+	302.99502	166.5
[M-H]-	278.99852	162.6
[M+NH4]+	298.03962	173.6
[M+K]+	318.96896	160.6
[M+H-H2O]+	263.00306	150.6
[M+HCOO]-	325.00400	170.4
[M+CH3COO]-	339.01965	197.7
[M+Na-2H]-	300.98047	159.6
[M]+	280.00525	161.3
[M]-	280.00635	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.