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: 83
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]+	247.052026	150.8
[M+Na]+	269.033968	160.1
[M-H]-	245.037474	157.9
[M+NH4]+	264.078573	169.1
[M+K]+	285.007908	155.4
[M+H-H2O]+	229.042010	144.6
[M+HCOO]-	291.042951	170.4
[M+CH3COO]-	305.058601	192.1
[M+Na-2H]-	267.019416	155.9
[M]+	246.04420142	154.5
[M]-	246.04529858	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe