CID 12378905

17380-62-0

Structural Information

Molecular Formula

C₁₂H₁₃ClO

SMILES

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

InChI

InChI=1S/C12H13ClO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey

NOYKUYNVZHTPCI-UHFFFAOYSA-N

Compound name

1-phenylcyclopentane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 208.06549 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]+	209.07277	146.3
[M+Na]+	231.05471	153.5
[M-H]-	207.05821	152.6
[M+NH4]+	226.09931	169.2
[M+K]+	247.02865	149.1
[M+H-H2O]+	191.06275	141.1
[M+HCOO]-	253.06369	164.1
[M+CH3COO]-	267.07934	182.1
[M+Na-2H]-	229.04016	150.1
[M]+	208.06494	145.0
[M]-	208.06604	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe