CID 532123

Acetamide, n-(2,5-dimethoxyphenyl)-2,2-dichloro-

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO₃

SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C(Cl)Cl

InChI

InChI=1S/C10H11Cl2NO3/c1-15-6-3-4-8(16-2)7(5-6)13-10(14)9(11)12/h3-5,9H,1-2H3,(H,13,14)

InChIKey

MRFYBJFXENFYEJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(2,5-dimethoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 263.0116 Da
Monoisotopic Mass: 2.4
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]+	264.018876	151.4
[M+Na]+	286.000818	160.2
[M-H]-	262.004324	154.9
[M+NH4]+	281.045423	169.4
[M+K]+	301.974758	156.6
[M+H-H2O]+	246.008860	147.2
[M+HCOO]-	308.009801	166.1
[M+CH3COO]-	322.025451	196.1
[M+Na-2H]-	283.986266	154.5
[M]+	263.01105142	157.2
[M]-	263.01214858	157.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.