CID 165988704

4-iodo-3-methoxy-1,2-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H4INO3S
SMILES
COC1=NSC(=C1I)C(=O)O
InChI
InChI=1S/C5H4INO3S/c1-10-4-2(6)3(5(8)9)11-7-4/h1H3,(H,8,9)
InChIKey
OUMBMJGTEJUHKA-UHFFFAOYSA-N
Compound name
4-iodo-3-methoxy-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.89566 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.90294 142.6
[M+Na]+ 307.88488 145.6
[M-H]- 283.88838 137.9
[M+NH4]+ 302.92948 158.4
[M+K]+ 323.85882 149.9
[M+H-H2O]+ 267.89292 133.8
[M+HCOO]- 329.89386 155.9
[M+CH3COO]- 343.90951 183.3
[M+Na-2H]- 305.87033 131.9
[M]+ 284.89511 143.7
[M]- 284.89621 143.7
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

No patent data available for this compound.