CID 10889179

4-iodo-1,2-thiazole

Structural Information

Molecular Formula
C3H2INS
SMILES
C1=C(C=NS1)I
InChI
InChI=1S/C3H2INS/c4-3-1-5-6-2-3/h1-2H
InChIKey
ORPLUOOTMBZERD-UHFFFAOYSA-N
Compound name
4-iodo-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

210.89526 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.90254 121.4
[M+Na]+ 233.88448 124.7
[M-H]- 209.88798 117.7
[M+NH4]+ 228.92908 140.6
[M+K]+ 249.85842 129.3
[M+H-H2O]+ 193.89252 112.7
[M+HCOO]- 255.89346 137.1
[M+CH3COO]- 269.90911 172.5
[M+Na-2H]- 231.86993 114.4
[M]+ 210.89471 120.3
[M]- 210.89581 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe