CID 327808

5-phenyl-1,3-thiaselenole-2-thione

Structural Information

Molecular Formula
C9H6S2Se
SMILES
C1=CC=C(C=C1)C2=C[Se]C(=S)S2
InChI
InChI=1S/C9H6S2Se/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
XVSXFAQGJAKCBL-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-thiaselenole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.90762 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.91490 148.3
[M+Na]+ 280.89684 158.8
[M-H]- 256.90034 155.5
[M+NH4]+ 275.94144 170.2
[M+K]+ 296.87078 153.1
[M+H-H2O]+ 240.90488 142.5
[M+HCOO]- 302.90582 163.8
[M+CH3COO]- 316.92147 161.8
[M+Na-2H]- 278.88229 148.3
[M]+ 257.90707 150.0
[M]- 257.90817 150.0
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.