CID 69479

Brn 1447856

Structural Information

Molecular Formula

C₆H₄Cl₂N₂

SMILES

C1=CC(=NCl)C=CC1=NCl

InChI

InChI=1S/C6H4Cl2N2/c7-9-5-1-2-6(10-8)4-3-5/h1-4H

InChIKey

NHMMHCXTHYEVLE-UHFFFAOYSA-N

Compound name

1-N,4-N-dichlorocyclohexa-2,5-diene-1,4-diimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 173.97516 Da
Monoisotopic Mass: 2.5
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]+	174.98244	132.2
[M+Na]+	196.96438	141.7
[M-H]-	172.96788	137.8
[M+NH4]+	192.00898	154.5
[M+K]+	212.93832	137.7
[M+H-H2O]+	156.97242	127.7
[M+HCOO]-	218.97336	151.8
[M+CH3COO]-	232.98901	184.2
[M+Na-2H]-	194.94983	140.2
[M]+	173.97461	133.6
[M]-	173.97571	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe