CID 6775

84-58-2

Structural Information

Molecular Formula
C8Cl2N2O2
SMILES
C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N
InChI
InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13
InChIKey
HZNVUJQVZSTENZ-UHFFFAOYSA-N
Compound name
4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

229
References

42978
Patents

225.93369 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94097 157.1
[M+Na]+ 248.92291 167.1
[M+NH4]+ 243.96751 158.0
[M+K]+ 264.89685 157.3
[M-H]- 224.92641 147.4
[M+Na-2H]- 246.90836 156.9
[M]+ 225.93314 154.9
[M]- 225.93424 154.9
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

patents stripe