CID 98802

N,n-bis(2-chloroethyl)acetamide

Structural Information

Molecular Formula

C₆H₁₁Cl₂NO

SMILES

CC(=O)N(CCCl)CCCl

InChI

InChI=1S/C6H11Cl2NO/c1-6(10)9(4-2-7)5-3-8/h2-5H2,1H3

InChIKey

QCWXUDBGALHWKK-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 183.02177 Da
Monoisotopic Mass: 0.9
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]+	184.02905	135.2
[M+Na]+	206.01099	146.2
[M+NH4]+	201.05559	143.6
[M+K]+	221.98493	140.0
[M-H]-	182.01449	135.3
[M+Na-2H]-	203.99644	139.5
[M]+	183.02122	137.2
[M]-	183.02232	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe