CID 2757749

1-(4-(4-chlorophenoxy)phenyl)ethanone

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

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

InChI

InChI=1S/C14H11ClO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3

InChIKey

KLQBBOAJYBGKHM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 246.04475 Da
Monoisotopic Mass: 3.8
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]+	247.05203	151.5
[M+Na]+	269.03397	168.0
[M+NH4]+	264.07857	161.0
[M+K]+	285.00791	159.4
[M-H]-	245.03747	156.5
[M+Na-2H]-	267.01942	161.7
[M]+	246.04420	155.8
[M]-	246.04530	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe