CID 24843876

Propiophenone, 2',4'-dichloro-2-(dimethylamino)-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

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

InChI

InChI=1S/C11H13Cl2NO/c1-7(14(2)3)11(15)9-5-4-8(12)6-10(9)13/h4-7H,1-3H3

InChIKey

QNWFGVRKYANXKC-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)-2-(dimethylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.03741 Da
Monoisotopic Mass: 3.3
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]+	246.044686	149.9
[M+Na]+	268.026628	158.6
[M-H]-	244.030134	154.6
[M+NH4]+	263.071233	169.3
[M+K]+	284.000568	154.8
[M+H-H2O]+	228.034670	145.7
[M+HCOO]-	290.035611	164.3
[M+CH3COO]-	304.051261	199.1
[M+Na-2H]-	266.012076	151.7
[M]+	245.03686142	154.6
[M]-	245.03795858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.