CID 362893

5,6-dichloro-2,1,3-benzoselenadiazole

Structural Information

Molecular Formula
C6H2Cl2N2Se
SMILES
C1=C(C(=CC2=N[Se]N=C21)Cl)Cl
InChI
InChI=1S/C6H2Cl2N2Se/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
AMJDYKAIBVZVIR-UHFFFAOYSA-N
Compound name
5,6-dichloro-2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

251.87604 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.88332 143.3
[M+Na]+ 274.86526 156.4
[M-H]- 250.86876 144.6
[M+NH4]+ 269.90986 164.3
[M+K]+ 290.83920 150.5
[M+H-H2O]+ 234.87330 136.8
[M+HCOO]- 296.87424 157.2
[M+CH3COO]- 310.88989 156.9
[M+Na-2H]- 272.85071 149.8
[M]+ 251.87549 147.8
[M]- 251.87659 147.8
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