CID 4465103

104066-09-3

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

CC(C)(C)C(=O)NC1=C(C=CC(=C1)Cl)Cl

InChI

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

InChIKey

ZPLRILFHQDTYAO-UHFFFAOYSA-N

Compound name

N-(2,5-dichlorophenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 245.03741 Da
Monoisotopic Mass: 3.6
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]+	246.04469	153.0
[M+Na]+	268.02663	166.3
[M+NH4]+	263.07123	161.5
[M+K]+	284.00057	159.3
[M-H]-	244.03013	154.9
[M+Na-2H]-	266.01208	159.4
[M]+	245.03686	156.1
[M]-	245.03796	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe