CID 141232

1,2,3-selenadiazole, 4-phenyl-

Structural Information

Molecular Formula
C8H6N2Se
SMILES
C1=CC=C(C=C1)C2=C[Se]N=N2
InChI
InChI=1S/C8H6N2Se/c1-2-4-7(5-3-1)8-6-11-10-9-8/h1-6H
InChIKey
LEWDFWSHOZUNRZ-UHFFFAOYSA-N
Compound name
4-phenylselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

209.96962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97690 139.0
[M+Na]+ 232.95884 147.3
[M-H]- 208.96234 142.6
[M+NH4]+ 228.00344 158.5
[M+K]+ 248.93278 144.3
[M+H-H2O]+ 192.96688 130.3
[M+HCOO]- 254.96782 162.5
[M+CH3COO]- 268.98347 152.3
[M+Na-2H]- 230.94429 145.9
[M]+ 209.96907 138.1
[M]- 209.97017 138.1
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