CID 3011119

7-nitro-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole

Structural Information

Molecular Formula
C10H7N3O2Se
SMILES
C1CC2=C(C3=C1C=C(C=C3)[N+](=O)[O-])N=N[Se]2
InChI
InChI=1S/C10H7N3O2Se/c14-13(15)7-2-3-8-6(5-7)1-4-9-10(8)11-12-16-9/h2-3,5H,1,4H2
InChIKey
PPOXUIXAIQTKDT-UHFFFAOYSA-N
Compound name
7-nitro-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.97034 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97762 154.3
[M+Na]+ 303.95956 161.9
[M-H]- 279.96306 156.8
[M+NH4]+ 299.00416 172.4
[M+K]+ 319.93350 154.2
[M+H-H2O]+ 263.96760 150.5
[M+HCOO]- 325.96854 174.9
[M+CH3COO]- 339.98419 184.2
[M+Na-2H]- 301.94501 162.9
[M]+ 280.96979 152.1
[M]- 280.97089 152.1
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.