CID 66221100

Ethyl 5-iodo-1,3-thiazole-2-carboxylate

Structural Information

Molecular Formula
C6H6INO2S
SMILES
CCOC(=O)C1=NC=C(S1)I
InChI
InChI=1S/C6H6INO2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2H2,1H3
InChIKey
JMMYMFAREZBJOF-UHFFFAOYSA-N
Compound name
ethyl 5-iodo-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

282.9164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.923676 142.9
[M+Na]+ 305.905618 145.4
[M-H]- 281.909124 139.1
[M+NH4]+ 300.950223 159.3
[M+K]+ 321.879558 149.9
[M+H-H2O]+ 265.913660 133.6
[M+HCOO]- 327.914601 157.2
[M+CH3COO]- 341.930251 184.9
[M+Na-2H]- 303.891066 132.7
[M]+ 282.91585142 144.4
[M]- 282.91694858 144.4
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