CID 67503

2,1,3-benzoselenadiazole

Structural Information

Molecular Formula
C6H4N2Se
SMILES
C1=CC2=N[Se]N=C2C=C1
InChI
InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey
AYTPIVIDHMVGSX-UHFFFAOYSA-N
Compound name
2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

966
Patents

183.95396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.961236 130.2
[M+Na]+ 206.943178 140.5
[M-H]- 182.946684 132.1
[M+NH4]+ 201.987783 152.3
[M+K]+ 222.917118 137.8
[M+H-H2O]+ 166.951220 122.7
[M+HCOO]- 228.952161 154.3
[M+CH3COO]- 242.967811 144.6
[M+Na-2H]- 204.928626 139.8
[M]+ 183.95341142 131.4
[M]- 183.95450858 131.4
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

patents stripe