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 135.2
[M+Na]+ 385.79678 130.7
[M-H]- 361.80028 125.5
[M+NH4]+ 380.84138 144.5
[M+K]+ 401.77072 138.8
[M+H-H2O]+ 345.80482 124.2
[M+HCOO]- 407.80576 142.4
[M+CH3COO]- 421.82141 195.5
[M+Na-2H]- 383.78223 122.2
[M]+ 362.80701 130.1
[M]- 362.80811 130.1
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