CID 43228

60179-83-1

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O₂

SMILES

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

InChI

InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10(7-13)15-14-9-5-3-8(12)4-6-9/h3-6,10H,2H2,1H3

InChIKey

XLDNAYMPMMJDGA-UHFFFAOYSA-N

Compound name

ethyl 2-[(4-chlorophenyl)diazenyl]-2-cyanoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 629
Patents: 251.04616 Da
Monoisotopic Mass: 3.0
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]+	252.05344	156.7
[M+Na]+	274.03538	166.1
[M-H]-	250.03888	162.0
[M+NH4]+	269.07998	173.3
[M+K]+	290.00932	163.1
[M+H-H2O]+	234.04342	143.7
[M+HCOO]-	296.04436	176.1
[M+CH3COO]-	310.06001	211.4
[M+Na-2H]-	272.02083	160.8
[M]+	251.04561	156.2
[M]-	251.04671	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe