CID 9568689

3029-60-5

Structural Information

Molecular Formula

C₇H₆Cl₂N₂

SMILES

CC\1=C/C(=N/Cl)/C=C/C1=N\Cl

InChI

InChI=1S/C7H6Cl2N2/c1-5-4-6(10-8)2-3-7(5)11-9/h2-4H,1H3/b10-6+,11-7+

InChIKey

KLPNKFWJFUJVNH-JMQWPVDRSA-N

Compound name

1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.9908 Da
Monoisotopic Mass: 2.9
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]+	188.99808	134.3
[M+Na]+	210.98002	148.4
[M+NH4]+	206.02462	144.2
[M+K]+	226.95396	139.9
[M-H]-	186.98352	138.5
[M+Na-2H]-	208.96547	142.6
[M]+	187.99025	138.0
[M]-	187.99135	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.