CID 9568689

2,5-cyclohexadiene-1,4-diimine, n,n'-dichloro-2-methyl-

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

1
References

0
Patents

187.9908 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.998076 136.7
[M+Na]+ 210.980018 146.7
[M-H]- 186.983524 142.5
[M+NH4]+ 206.024623 158.8
[M+K]+ 226.953958 142.5
[M+H-H2O]+ 170.988060 132.3
[M+HCOO]- 232.989001 156.0
[M+CH3COO]- 247.004651 188.3
[M+Na-2H]- 208.965466 143.4
[M]+ 187.99025142 138.8
[M]- 187.99134858 138.8
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.