CID 9568696

2,5-cyclohexadiene-1,4-diimine, n,n',2-trichloro-

Structural Information

Molecular Formula
C6H3Cl3N2
SMILES
C\1=C/C(=N\Cl)/C(=C/C1=N/Cl)Cl
InChI
InChI=1S/C6H3Cl3N2/c7-5-3-4(10-8)1-2-6(5)11-9/h1-3H/b10-4+,11-6+
InChIKey
IIGYYCVYWIGCPW-MCIRJAFSSA-N
Compound name
1-N,4-N,2-trichlorocyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.93619 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94347 140.5
[M+Na]+ 230.92541 150.7
[M-H]- 206.92891 144.9
[M+NH4]+ 225.97001 161.4
[M+K]+ 246.89935 145.7
[M+H-H2O]+ 190.93345 136.7
[M+HCOO]- 252.93439 154.3
[M+CH3COO]- 266.95004 190.7
[M+Na-2H]- 228.91086 146.3
[M]+ 207.93564 142.2
[M]- 207.93674 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.