CID 23347342

1-(4-chlorophenyl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

C1=CC(=CC=C1C(CN)N)Cl

InChI

InChI=1S/C8H11ClN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,5,10-11H2

InChIKey

DYQPAVDDRLNLKW-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 170.06108 Da
Monoisotopic Mass: 0.5
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]+	171.06836	134.0
[M+Na]+	193.05030	145.9
[M+NH4]+	188.09490	143.2
[M+K]+	209.02424	139.4
[M-H]-	169.05380	137.5
[M+Na-2H]-	191.03575	141.0
[M]+	170.06053	136.8
[M]-	170.06163	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe