CID 235166

4,4'-dibromoazoxybenzene

Structural Information

Molecular Formula
C12H8Br2N2O
SMILES
C1=CC(=CC=C1N=[N+](C2=CC=C(C=C2)Br)[O-])Br
InChI
InChI=1S/C12H8Br2N2O/c13-9-1-5-11(6-2-9)15-16(17)12-7-3-10(14)4-8-12/h1-8H
InChIKey
IPXUSIUMPSGLFK-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(4-bromophenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

353.90033 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.90761 161.1
[M+Na]+ 376.88955 170.1
[M-H]- 352.89305 170.9
[M+NH4]+ 371.93415 177.8
[M+K]+ 392.86349 151.4
[M+H-H2O]+ 336.89759 170.4
[M+HCOO]- 398.89853 180.2
[M+CH3COO]- 412.91418 209.9
[M+Na-2H]- 374.87500 169.1
[M]+ 353.89978 194.3
[M]- 353.90088 194.3
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