CID 677479

119851-28-4

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂O₂

SMILES

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

InChI

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

InChIKey

BDTJIVUVQRVLLJ-UHFFFAOYSA-N

Compound name

1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 280.0058 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]+	281.01308	157.4
[M+Na]+	302.99502	174.6
[M+NH4]+	298.03962	166.9
[M+K]+	318.96896	165.6
[M-H]-	278.99852	162.1
[M+Na-2H]-	300.98047	167.1
[M]+	280.00525	162.1
[M]-	280.00635	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe