CID 13192880

88357-31-7

Structural Information

Molecular Formula

C₅H₇Cl₂NO₂

SMILES

CCOC(=O)CN=C(Cl)Cl

InChI

InChI=1S/C5H7Cl2NO2/c1-2-10-4(9)3-8-5(6)7/h2-3H2,1H3

InChIKey

KAMCHTKSYCCCQK-UHFFFAOYSA-N

Compound name

ethyl 2-(dichloromethylideneamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.98538 Da
Monoisotopic Mass: 2.4
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]+	183.992656	133.2
[M+Na]+	205.974598	141.8
[M-H]-	181.978104	134.5
[M+NH4]+	201.019203	154.7
[M+K]+	221.948538	139.3
[M+H-H2O]+	165.982640	130.2
[M+HCOO]-	227.983581	149.2
[M+CH3COO]-	241.999231	182.7
[M+Na-2H]-	203.960046	137.9
[M]+	182.98483142	137.9
[M]-	182.98592858	137.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.