CID 6775

2,3-dichloro-5,6-dicyano-1,4-benzoquinone

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
4
Annotation Hits

229
References

43891
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 150.6
[M+Na]+ 248.92291 164.2
[M-H]- 224.92641 155.0
[M+NH4]+ 243.96751 164.3
[M+K]+ 264.89685 158.8
[M+H-H2O]+ 208.93095 138.5
[M+HCOO]- 270.93189 158.0
[M+CH3COO]- 284.94754 218.2
[M+Na-2H]- 246.90836 151.9
[M]+ 225.93314 145.6
[M]- 225.93424 145.6
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