CID 26423

3,3',4,4'-tetrachloroazobenzene

Structural Information

Molecular Formula
C12H6Cl4N2
SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H
InChIKey
SOBGIMQKWDUEPY-UHFFFAOYSA-N
Compound name
bis(3,4-dichlorophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

86
Patents

317.9285 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.93578 168.6
[M+Na]+ 340.91772 179.4
[M-H]- 316.92122 174.1
[M+NH4]+ 335.96232 184.8
[M+K]+ 356.89166 173.0
[M+H-H2O]+ 300.92576 163.2
[M+HCOO]- 362.92670 177.0
[M+CH3COO]- 376.94235 179.6
[M+Na-2H]- 338.90317 171.5
[M]+ 317.92795 172.7
[M]- 317.92905 172.7
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