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]+ 283.92368 142.9
[M+Na]+ 305.90562 145.4
[M-H]- 281.90912 139.1
[M+NH4]+ 300.95022 159.3
[M+K]+ 321.87956 149.9
[M+H-H2O]+ 265.91366 133.6
[M+HCOO]- 327.91460 157.2
[M+CH3COO]- 341.93025 184.9
[M+Na-2H]- 303.89107 132.7
[M]+ 282.91585 144.4
[M]- 282.91695 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