CID 11960

4,4'-dichloroazoxybenzene

Structural Information

Molecular Formula
C12H8Cl2N2O
SMILES
C1=CC(=CC=C1N=[N+](C2=CC=C(C=C2)Cl)[O-])Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-9-1-5-11(6-2-9)15-16(17)12-7-3-10(14)4-8-12/h1-8H
InChIKey
NMAZIJPSESMWSA-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4-chlorophenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

31
Patents

266.00137 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.008646 157.6
[M+Na]+ 288.990588 165.6
[M-H]- 264.994094 164.3
[M+NH4]+ 284.035193 174.6
[M+K]+ 304.964528 156.1
[M+H-H2O]+ 248.998630 156.1
[M+HCOO]- 310.999571 175.9
[M+CH3COO]- 325.015221 192.9
[M+Na-2H]- 286.976036 164.7
[M]+ 266.00082142 158.9
[M]- 266.00191858 158.9
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