CID 1903968

207864-30-0

Structural Information

Molecular Formula

C₁₁H₁₁Cl₂NO₃

SMILES

CCOC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H11Cl2NO3/c1-2-17-10(15)6-14-11(16)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3,(H,14,16)

InChIKey

BQCHYYSNTUWIHP-UHFFFAOYSA-N

Compound name

ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.0116 Da
Monoisotopic Mass: 2.7
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]+	276.018876	155.3
[M+Na]+	298.000818	164.1
[M-H]-	274.004324	158.7
[M+NH4]+	293.045423	172.8
[M+K]+	313.974758	159.6
[M+H-H2O]+	258.008860	151.0
[M+HCOO]-	320.009801	169.8
[M+CH3COO]-	334.025451	197.5
[M+Na-2H]-	295.986266	157.8
[M]+	275.01105142	160.7
[M]-	275.01214858	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.