CID 44542511

1346603-00-6

Structural Information

Molecular Formula

C₁₃H₁₇Cl₂NO

SMILES

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

InChI

InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3

InChIKey

ZKFFJBXJJFDBJM-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-(3,5-dichlorophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 273.06873 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]+	274.07601	161.9
[M+Na]+	296.05795	174.4
[M+NH4]+	291.10255	169.9
[M+K]+	312.03189	167.8
[M-H]-	272.06145	163.5
[M+Na-2H]-	294.04340	167.4
[M]+	273.06818	164.8
[M]-	273.06928	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe