CID 631165

4,7-dibromo-2,1,3-benzoselenadiazole

Structural Information

Molecular Formula
C6H2Br2N2Se
SMILES
C1=C(C2=N[Se]N=C2C(=C1)Br)Br
InChI
InChI=1S/C6H2Br2N2Se/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKey
MVYRQFKGUCDJAB-UHFFFAOYSA-N
Compound name
4,7-dibromo-2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

339.775 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.78228 141.7
[M+Na]+ 362.76422 155.3
[M-H]- 338.76772 147.8
[M+NH4]+ 357.80882 162.0
[M+K]+ 378.73816 140.5
[M+H-H2O]+ 322.77226 149.9
[M+HCOO]- 384.77320 158.4
[M+CH3COO]- 398.78885 156.7
[M+Na-2H]- 360.74967 150.5
[M]+ 339.77445 177.5
[M]- 339.77555 177.5
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