CID 3060542

78218-47-0

Structural Information

Molecular Formula

C₅H₁₁Cl₂N

SMILES

C(CNCCCl)CCl

InChI

InChI=1S/C5H11Cl2N/c6-2-1-4-8-5-3-7/h8H,1-5H2

InChIKey

PRXKFOYOKSXOGO-UHFFFAOYSA-N

Compound name

3-chloro-N-(2-chloroethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 155.02686 Da
Monoisotopic Mass: 1.3
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]+	156.03414	128.0
[M+Na]+	178.01608	139.7
[M+NH4]+	173.06068	137.3
[M+K]+	193.99002	132.1
[M-H]-	154.01958	128.8
[M+Na-2H]-	176.00153	133.3
[M]+	155.02631	130.3
[M]-	155.02741	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe