CID 3039944

Brn 2113109

Structural Information

Molecular Formula

C₁₂H₁₂ClNO

SMILES

C1CC(=CC(=O)C1)NC2=CC=CC=C2Cl

InChI

InChI=1S/C12H12ClNO/c13-11-6-1-2-7-12(11)14-9-4-3-5-10(15)8-9/h1-2,6-8,14H,3-5H2

InChIKey

BRIBAVOXWBMTNC-UHFFFAOYSA-N

Compound name

3-(2-chloroanilino)cyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 221.06075 Da
Monoisotopic Mass: 2.8
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]+	222.06803	146.4
[M+Na]+	244.04997	160.9
[M+NH4]+	239.09457	156.3
[M+K]+	260.02391	152.3
[M-H]-	220.05347	151.9
[M+Na-2H]-	242.03542	155.7
[M]+	221.06020	150.4
[M]-	221.06130	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe