CID 30533

3,3',4,4'-tetrachloroazoxybenzene

Structural Information

Molecular Formula
C12H6Cl4N2O
SMILES
C1=CC(=C(C=C1N=[N+](C2=CC(=C(C=C2)Cl)Cl)[O-])Cl)Cl
InChI
InChI=1S/C12H6Cl4N2O/c13-9-3-1-7(5-11(9)15)17-18(19)8-2-4-10(14)12(16)6-8/h1-6H
InChIKey
BCOVXBPXQLIGEV-UHFFFAOYSA-N
Compound name
(3,4-dichlorophenyl)-(3,4-dichlorophenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

4
Patents

333.92343 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.93071 174.5
[M+Na]+ 356.91265 182.6
[M-H]- 332.91615 177.8
[M+NH4]+ 351.95725 188.4
[M+K]+ 372.88659 173.1
[M+H-H2O]+ 316.92069 174.1
[M+HCOO]- 378.92163 180.9
[M+CH3COO]- 392.93728 205.7
[M+Na-2H]- 354.89810 176.7
[M]+ 333.92288 175.9
[M]- 333.92398 175.9
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