CID 9991941

Ethyl 2-amino-2-[2-(4-chlorophenyl)hydrazono]-acetate

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O₂

SMILES

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

InChI

InChI=1S/C10H12ClN3O2/c1-2-16-10(15)9(12)14-13-8-5-3-7(11)4-6-8/h3-6,13H,2H2,1H3,(H2,12,14)

InChIKey

SDHHJNXBVCVUHS-UHFFFAOYSA-N

Compound name

ethyl (2Z)-2-amino-2-[(4-chlorophenyl)hydrazinylidene]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.0618 Da
Monoisotopic Mass: 3.1
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]+	242.069076	152.8
[M+Na]+	264.051018	159.5
[M-H]-	240.054524	157.4
[M+NH4]+	259.095623	170.8
[M+K]+	280.024958	156.7
[M+H-H2O]+	224.059060	146.6
[M+HCOO]-	286.060001	175.4
[M+CH3COO]-	300.075651	198.2
[M+Na-2H]-	262.036466	157.0
[M]+	241.06125142	154.2
[M]-	241.06234858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.