CID 228788

27206-30-0

Structural Information

Molecular Formula
C12H6N4Se2
SMILES
C1=CC2=N[Se]N=C2C=C1C3=CC4=N[Se]N=C4C=C3
InChI
InChI=1S/C12H6N4Se2/c1-3-9-11(15-17-13-9)5-7(1)8-2-4-10-12(6-8)16-18-14-10/h1-6H
InChIKey
LKPVAMTVZFVTJW-UHFFFAOYSA-N
Compound name
5-(2,1,3-benzoselenadiazol-5-yl)-2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.8923 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.89958 172.6
[M+Na]+ 388.88152 184.8
[M-H]- 364.88502 176.6
[M+NH4]+ 383.92612 189.4
[M+K]+ 404.85546 178.2
[M+H-H2O]+ 348.88956 161.8
[M+HCOO]- 410.89050 194.2
[M+CH3COO]- 424.90615 184.4
[M+Na-2H]- 386.86697 178.2
[M]+ 365.89175 176.4
[M]- 365.89285 176.4
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

No patent data available for this compound.