CID 79380

5397-14-8

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

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

InChI

InChI=1S/C10H10ClNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13)

InChIKey

JFAOXNRPSKOLNC-UHFFFAOYSA-N

Compound name

ethyl 2-(4-chloroanilino)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 227.03493 Da
Monoisotopic Mass: 2.1
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]+	228.042206	146.1
[M+Na]+	250.024148	154.1
[M-H]-	226.027654	149.9
[M+NH4]+	245.068753	164.9
[M+K]+	265.998088	151.3
[M+H-H2O]+	210.032190	140.9
[M+HCOO]-	272.033131	166.0
[M+CH3COO]-	286.048781	188.2
[M+Na-2H]-	248.009596	150.5
[M]+	227.03438142	149.5
[M]-	227.03547858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe