CID 67354308

1-(4-chlorophenyl)-2-(ethylamino)ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

CCNCC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H12ClNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3

InChIKey

LWWDKUFSDDYHBY-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-(ethylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 197.06075 Da
Monoisotopic Mass: 2.2
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]+	198.068026	141.1
[M+Na]+	220.049968	149.0
[M-H]-	196.053474	144.7
[M+NH4]+	215.094573	161.1
[M+K]+	236.023908	145.1
[M+H-H2O]+	180.058010	136.0
[M+HCOO]-	242.058951	161.2
[M+CH3COO]-	256.074601	186.1
[M+Na-2H]-	218.035416	146.6
[M]+	197.06020142	143.1
[M]-	197.06129858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe