CID 3011112

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

Structural Information

Molecular Formula
C10H8N2Se
SMILES
C1CC2=C(C3=CC=CC=C31)N=N[Se]2
InChI
InChI=1S/C10H8N2Se/c1-2-4-8-7(3-1)5-6-9-10(8)11-12-13-9/h1-4H,5-6H2
InChIKey
ZKWLDQHHFOPPST-UHFFFAOYSA-N
Compound name
4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

235.98528 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99256 145.8
[M+Na]+ 258.97450 154.6
[M-H]- 234.97800 147.9
[M+NH4]+ 254.01910 166.7
[M+K]+ 274.94844 150.3
[M+H-H2O]+ 218.98254 137.6
[M+HCOO]- 280.98348 165.5
[M+CH3COO]- 294.99913 158.3
[M+Na-2H]- 256.95995 153.3
[M]+ 235.98473 144.6
[M]- 235.98583 144.6
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