CID 13023806

40297-26-5

Structural Information

Molecular Formula

C₁₁H₁₁ClO

SMILES

C1CC(C(=O)C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2

InChIKey

QYRJGCLTALWPLU-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 194.04984 Da
Monoisotopic Mass: 2.7
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	140.7
[M+Na]+	217.039058	149.5
[M-H]-	193.042564	147.4
[M+NH4]+	212.083663	162.8
[M+K]+	233.012998	144.8
[M+H-H2O]+	177.047100	135.5
[M+HCOO]-	239.048041	159.7
[M+CH3COO]-	253.063691	180.9
[M+Na-2H]-	215.024506	143.9
[M]+	194.04929142	140.1
[M]-	194.05038858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe