CID 2363723

72825-30-0

Structural Information

Molecular Formula

C₁₄H₁₇ClO

SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CCl

InChI

InChI=1S/C14H17ClO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2

InChIKey

JQBRUWGVDKLWGP-UHFFFAOYSA-N

Compound name

2-chloro-1-(4-cyclohexylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 236.09679 Da
Monoisotopic Mass: 4.9
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]+	237.10407	153.2
[M+Na]+	259.08601	158.4
[M-H]-	235.08951	158.6
[M+NH4]+	254.13061	171.3
[M+K]+	275.05995	153.6
[M+H-H2O]+	219.09405	146.8
[M+HCOO]-	281.09499	168.1
[M+CH3COO]-	295.11064	190.0
[M+Na-2H]-	257.07146	155.8
[M]+	236.09624	150.6
[M]-	236.09734	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe