CID 11860

2,6-dichloro-1,4-phenylenediamine

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

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

InChI

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

InChIKey

HQCHAOKWWKLXQH-UHFFFAOYSA-N

Compound name

2,6-dichlorobenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 2068
Patents: 175.9908 Da
Monoisotopic Mass: 2.4
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]+	176.99808	130.4
[M+Na]+	198.98002	144.2
[M+NH4]+	194.02462	140.0
[M+K]+	214.95396	137.1
[M-H]-	174.98352	133.9
[M+Na-2H]-	196.96547	137.7
[M]+	175.99025	133.9
[M]-	175.99135	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe