CID 2728717

1-(4-(2,2-dichlorocyclopropyl)phenyl)ethanone

Structural Information

Molecular Formula

C₁₁H₁₀Cl₂O

SMILES

CC(=O)C1=CC=C(C=C1)C2CC2(Cl)Cl

InChI

InChI=1S/C11H10Cl2O/c1-7(14)8-2-4-9(5-3-8)10-6-11(10,12)13/h2-5,10H,6H2,1H3

InChIKey

KCKBGCSOFLKSEH-UHFFFAOYSA-N

Compound name

1-[4-(2,2-dichlorocyclopropyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 228.01086 Da
Monoisotopic Mass: 3.0
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]+	229.01814	139.2
[M+Na]+	251.00008	150.6
[M-H]-	227.00358	146.3
[M+NH4]+	246.04468	155.8
[M+K]+	266.97402	145.8
[M+H-H2O]+	211.00812	135.3
[M+HCOO]-	273.00906	153.4
[M+CH3COO]-	287.02471	191.1
[M+Na-2H]-	248.98553	144.4
[M]+	228.01031	144.9
[M]-	228.01141	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe