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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99808 136.7
[M+Na]+ 210.98002 146.7
[M-H]- 186.98352 142.5
[M+NH4]+ 206.02462 158.8
[M+K]+ 226.95396 142.5
[M+H-H2O]+ 170.98806 132.3
[M+HCOO]- 232.98900 156.0
[M+CH3COO]- 247.00465 188.3
[M+Na-2H]- 208.96547 143.4
[M]+ 187.99025 138.8
[M]- 187.99135 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.