CID 260947

3,3'-dichloroazoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

266.00137 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00865 157.6
[M+Na]+ 288.99059 165.6
[M-H]- 264.99409 164.3
[M+NH4]+ 284.03519 174.6
[M+K]+ 304.96453 156.1
[M+H-H2O]+ 248.99863 156.1
[M+HCOO]- 310.99957 175.9
[M+CH3COO]- 325.01522 192.9
[M+Na-2H]- 286.97604 164.7
[M]+ 266.00082 158.9
[M]- 266.00192 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