CID 70850287

4-iodo-1,2,3-thiadiazole

Structural Information

Molecular Formula
C2HIN2S
SMILES
C1=C(N=NS1)I
InChI
InChI=1S/C2HIN2S/c3-2-1-6-5-4-2/h1H
InChIKey
PTWXVRMLJYGIPN-UHFFFAOYSA-N
Compound name
4-iodothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

211.89052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.897796 119.0
[M+Na]+ 234.879738 122.8
[M-H]- 210.883244 114.1
[M+NH4]+ 229.924343 137.0
[M+K]+ 250.853678 127.6
[M+H-H2O]+ 194.887780 109.7
[M+HCOO]- 256.888721 133.9
[M+CH3COO]- 270.904371 172.3
[M+Na-2H]- 232.865186 112.6
[M]+ 211.88997142 118.1
[M]- 211.89106858 118.1
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