CID 45428

Brn 1767456

Structural Information

Molecular Formula

C₁₀H₂₀Cl₄N₂

SMILES

C(CN(CCCl)CCCl)N(CCCl)CCCl

InChI

InChI=1S/C10H20Cl4N2/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h1-10H2

InChIKey

JKPPVAYNBVUZHO-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetrakis(2-chloroethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.03806 Da
Monoisotopic Mass: 2.7
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]+	309.04534	172.3
[M+Na]+	331.02728	177.0
[M-H]-	307.03078	170.8
[M+NH4]+	326.07188	188.3
[M+K]+	347.00122	172.4
[M+H-H2O]+	291.03532	168.5
[M+HCOO]-	353.03626	176.8
[M+CH3COO]-	367.05191	214.0
[M+Na-2H]-	329.01273	171.9
[M]+	308.03751	177.1
[M]-	308.03861	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe