CID 9568690

15945-16-1

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O

SMILES

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

InChI

InChI=1S/C7H6Cl2N2O/c1-12-7-4-5(10-8)2-3-6(7)11-9/h2-4H,1H3/b10-5+,11-6+

InChIKey

SWPHLJNFOOCNJH-YOYBCKCWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.98572 Da
Monoisotopic Mass: 2.7
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]+	204.99300	136.9
[M+Na]+	226.97494	150.6
[M+NH4]+	222.01954	146.2
[M+K]+	242.94888	142.6
[M-H]-	202.97844	140.6
[M+Na-2H]-	224.96039	144.8
[M]+	203.98517	140.4
[M]-	203.98627	140.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.