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]+ 363.814836 135.2
[M+Na]+ 385.796778 130.7
[M-H]- 361.800284 125.5
[M+NH4]+ 380.841383 144.5
[M+K]+ 401.770718 138.8
[M+H-H2O]+ 345.804820 124.2
[M+HCOO]- 407.805761 142.4
[M+CH3COO]- 421.821411 195.5
[M+Na-2H]- 383.782226 122.2
[M]+ 362.80701142 130.1
[M]- 362.80810858 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