CID 2723774

71501-44-5

Structural Information

Molecular Formula

C₁₂H₁₂Cl₂O

SMILES

C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)Cl

InChI

InChI=1S/C12H12Cl2O/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2

InChIKey

RZHJJILZUKNEKM-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)cyclopentane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 242.02652 Da
Monoisotopic Mass: 4.4
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]+	243.033796	152.1
[M+Na]+	265.015738	160.6
[M-H]-	241.019244	158.0
[M+NH4]+	260.060343	174.3
[M+K]+	280.989678	154.7
[M+H-H2O]+	225.023780	147.6
[M+HCOO]-	287.024721	164.8
[M+CH3COO]-	301.040371	187.8
[M+Na-2H]-	263.001186	154.5
[M]+	242.02597142	152.3
[M]-	242.02706858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe