CID 3003350

Benzoselena-diazole

Structural Information

Molecular Formula
C6H4N2Se
SMILES
C1=CC=C2C(=C1)N3N2[Se]3
InChI
InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-8(6)9-7/h1-4H
InChIKey
VKSBAHRGKCMXOC-UHFFFAOYSA-N
Compound name
8-selena-7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.95396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.96124 135.2
[M+Na]+ 206.94318 148.7
[M-H]- 182.94668 139.4
[M+NH4]+ 201.98778 146.4
[M+K]+ 222.91712 147.2
[M+H-H2O]+ 166.95122 123.2
[M+HCOO]- 228.95216 158.2
[M+CH3COO]- 242.96781 149.1
[M+Na-2H]- 204.92863 146.9
[M]+ 183.95341 149.8
[M]- 183.95451 149.8
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.