CID 128948

89353-72-0

Structural Information

Molecular Formula

C₇H₁₃Cl₃N₂

SMILES

C(CCl)C(=N)N(CCCl)CCCl

InChI

InChI=1S/C7H13Cl3N2/c8-2-1-7(11)12(5-3-9)6-4-10/h11H,1-6H2

InChIKey

BYJYHUQSAYDCOF-UHFFFAOYSA-N

Compound name

3-chloro-N,N-bis(2-chloroethyl)propanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.01443 Da
Monoisotopic Mass: 1.5
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]+	231.02171	151.0
[M+Na]+	253.00365	157.4
[M-H]-	229.00715	150.5
[M+NH4]+	248.04825	170.1
[M+K]+	268.97759	152.8
[M+H-H2O]+	213.01169	147.9
[M+HCOO]-	275.01263	161.1
[M+CH3COO]-	289.02828	196.3
[M+Na-2H]-	250.98910	153.3
[M]+	230.01388	153.4
[M]-	230.01498	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.