CID 79297

5348-42-5

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

C1=C(C(=CC(=C1Cl)Cl)N)N

InChI

InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChIKey

IWFHBRFJOHTIPU-UHFFFAOYSA-N

Compound name

4,5-dichlorobenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1796
Patents: 175.9908 Da
Monoisotopic Mass: 2.0
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]+	176.998076	133.0
[M+Na]+	198.980018	143.8
[M-H]-	174.983524	135.8
[M+NH4]+	194.024623	154.0
[M+K]+	214.953958	138.3
[M+H-H2O]+	158.988060	129.7
[M+HCOO]-	220.989001	149.5
[M+CH3COO]-	235.004651	182.7
[M+Na-2H]-	196.965466	137.5
[M]+	175.99025142	132.4
[M]-	175.99134858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe