CID 3011121

8-nitrosulfanyl-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole

Structural Information

Molecular Formula
C10H7N3O2SSe
SMILES
C1CC2=C(C3=C1C=CC(=C3)S[N+](=O)[O-])N=N[Se]2
InChI
InChI=1S/C10H7N3O2SSe/c14-13(15)16-7-3-1-6-2-4-9-10(8(6)5-7)11-12-17-9/h1,3,5H,2,4H2
InChIKey
XUGABKSTKQSXPC-UHFFFAOYSA-N
Compound name
8-nitrosulfanyl-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.9424 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.94968 160.0
[M+Na]+ 335.93162 167.9
[M-H]- 311.93512 162.6
[M+NH4]+ 330.97622 177.5
[M+K]+ 351.90556 159.7
[M+H-H2O]+ 295.93966 156.9
[M+HCOO]- 357.94060 175.7
[M+CH3COO]- 371.95625 188.0
[M+Na-2H]- 333.91707 166.3
[M]+ 312.94185 159.9
[M]- 312.94295 160.0
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.