CID 2772962

2,1,3-benzoselenadiazol-4-amine

Structural Information

Molecular Formula
C6H5N3Se
SMILES
C1=CC2=N[Se]N=C2C(=C1)N
InChI
InChI=1S/C6H5N3Se/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey
HPSPYVQQELOQOO-UHFFFAOYSA-N
Compound name
2,1,3-benzoselenadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

198.96487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97215 134.1
[M+Na]+ 221.95409 144.6
[M-H]- 197.95759 136.0
[M+NH4]+ 216.99869 155.4
[M+K]+ 237.92803 141.3
[M+H-H2O]+ 181.96213 126.6
[M+HCOO]- 243.96307 158.7
[M+CH3COO]- 257.97872 148.1
[M+Na-2H]- 219.93954 142.6
[M]+ 198.96432 134.1
[M]- 198.96542 134.1
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

patents stripe