CID 29949

20103-09-7

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

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

InChI

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

InChIKey

QAYVHDDEMLNVMO-UHFFFAOYSA-N

Compound name

2,5-dichlorobenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 2137
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	133.0
[M+Na]+	198.98002	143.8
[M-H]-	174.98352	135.8
[M+NH4]+	194.02462	154.0
[M+K]+	214.95396	138.3
[M+H-H2O]+	158.98806	129.7
[M+HCOO]-	220.98900	149.5
[M+CH3COO]-	235.00465	182.7
[M+Na-2H]-	196.96547	137.5
[M]+	175.99025	132.4
[M]-	175.99135	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe