CID 327809

5-(4-methoxyphenyl)-1,3-thiaselenole-2-thione

Structural Information

Molecular Formula
C10H8OS2Se
SMILES
COC1=CC=C(C=C1)C2=C[Se]C(=S)S2
InChI
InChI=1S/C10H8OS2Se/c1-11-8-4-2-7(3-5-8)9-6-14-10(12)13-9/h2-6H,1H3
InChIKey
ZQUQVECTIOQLRM-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,3-thiaselenole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.91818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92546 156.2
[M+Na]+ 310.90740 166.8
[M-H]- 286.91090 163.5
[M+NH4]+ 305.95200 177.1
[M+K]+ 326.88134 161.3
[M+H-H2O]+ 270.91544 150.3
[M+HCOO]- 332.91638 171.5
[M+CH3COO]- 346.93203 169.4
[M+Na-2H]- 308.89285 155.3
[M]+ 287.91763 160.0
[M]- 287.91873 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.