CID 9589288

Brn 4244294

Structural Information

Molecular Formula

C₆H₉Cl₂NO₂

SMILES

CCC/C(=N/OC(=O)CCl)/Cl

InChI

InChI=1S/C6H9Cl2NO2/c1-2-3-5(8)9-11-6(10)4-7/h2-4H2,1H3/b9-5-

InChIKey

YXRXMJJXJDKNBL-UITAMQMPSA-N

Compound name

[(Z)-1-chlorobutylideneamino] 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.00104 Da
Monoisotopic Mass: 2.6
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]+	198.00832	137.9
[M+Na]+	219.99026	146.1
[M-H]-	195.99376	139.1
[M+NH4]+	215.03486	158.9
[M+K]+	235.96420	143.4
[M+H-H2O]+	179.99830	134.7
[M+HCOO]-	241.99924	153.6
[M+CH3COO]-	256.01489	185.7
[M+Na-2H]-	217.97571	142.1
[M]+	197.00049	143.0
[M]-	197.00159	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.