CID 5539723

Nsc 176283

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O₂

SMILES

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

InChI

InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10(7-13)15-14-9-5-3-8(12)4-6-9/h3-6,14H,2H2,1H3/b15-10-

InChIKey

PQDRRQIRVTVLBS-GDNBJRDFSA-N

Compound name

ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.04616 Da
Monoisotopic Mass: 3.9
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]+	252.053436	157.9
[M+Na]+	274.035378	166.9
[M-H]-	250.038884	161.9
[M+NH4]+	269.079983	173.8
[M+K]+	290.009318	163.2
[M+H-H2O]+	234.043420	145.2
[M+HCOO]-	296.044361	176.0
[M+CH3COO]-	310.060011	209.1
[M+Na-2H]-	272.020826	161.5
[M]+	251.04561142	155.7
[M]-	251.04670858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.