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: 36
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]+	156.034136	130.7
[M+Na]+	178.016078	138.5
[M-H]-	154.019584	130.0
[M+NH4]+	173.060683	152.6
[M+K]+	193.990018	134.5
[M+H-H2O]+	138.024120	127.8
[M+HCOO]-	200.025061	146.0
[M+CH3COO]-	214.040711	177.8
[M+Na-2H]-	176.001526	137.1
[M]+	155.02631142	133.2
[M]-	155.02740858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe