CID 37112

3,4,7,8-tetrahydrodibenzo(a,e)-1,5-diazocinium dibromide

Structural Information

Molecular Formula
C14H16N2
SMILES
C1C[N+]2=CC=CC=C2CC[N+]3=CC=CC=C31
InChI
InChI=1S/C14H16N2/c1-3-9-15-12-8-14-6-2-4-10-16(14)11-7-13(15)5-1/h1-6,9-10H,7-8,11-12H2/q+2
InChIKey
YKHPXQJVMCYZJC-UHFFFAOYSA-N
Compound name
1,9-diazoniatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 150.4
[M+Na]+ 235.12057 156.5
[M+NH4]+ 230.16517 154.3
[M+K]+ 251.09451 155.0
[M-H]- 211.12407 152.6
[M+Na-2H]- 233.10602 154.6
[M]+ 212.13080 152.1
[M]- 212.13190 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.