CID 4465103

2',5'-dichloro-2,2-dimethylpropionanilide

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: 13
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]+	246.044686	151.8
[M+Na]+	268.026628	161.2
[M-H]-	244.030134	155.4
[M+NH4]+	263.071233	170.9
[M+K]+	284.000568	156.0
[M+H-H2O]+	228.034670	148.2
[M+HCOO]-	290.035611	165.0
[M+CH3COO]-	304.051261	193.8
[M+Na-2H]-	266.012076	156.0
[M]+	245.03686142	155.1
[M]-	245.03795858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe