CID 20600688

1017388-59-8

Structural Information

Molecular Formula

C₁₁H₁₁ClO

SMILES

CC(=O)C1(CC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClO/c1-8(13)11(6-7-11)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3

InChIKey

ASFHBXWIBSPACX-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)cyclopropyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 194.04984 Da
Monoisotopic Mass: 2.5
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]+	195.057116	136.4
[M+Na]+	217.039058	146.9
[M-H]-	193.042564	144.2
[M+NH4]+	212.083663	153.8
[M+K]+	233.012998	143.4
[M+H-H2O]+	177.047100	131.7
[M+HCOO]-	239.048041	155.5
[M+CH3COO]-	253.063691	185.6
[M+Na-2H]-	215.024506	142.8
[M]+	194.04929142	140.8
[M]-	194.05038858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe