CID 3048407

63905-96-4

Structural Information

Molecular Formula
C5H3I2NS
SMILES
C1=C(C(=S)C(=CN1)I)I
InChI
InChI=1S/C5H3I2NS/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
VSTUQSFFPRXKLW-UHFFFAOYSA-N
Compound name
3,5-diiodo-1H-pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.80756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.81484 140.3
[M+Na]+ 385.79678 137.5
[M+NH4]+ 380.84138 140.2
[M+K]+ 401.77072 137.4
[M-H]- 361.80028 130.4
[M+Na-2H]- 383.78223 125.7
[M]+ 362.80701 135.5
[M]- 362.80811 135.5
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

patents stripe