CID 145874546

2167956-38-7

Structural Information

Molecular Formula
C4H2INO2S
SMILES
C1=C(SN=C1C(=O)O)I
InChI
InChI=1S/C4H2INO2S/c5-3-1-2(4(7)8)6-9-3/h1H,(H,7,8)
InChIKey
KVBRXPTYWPNFQT-UHFFFAOYSA-N
Compound name
5-iodo-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.8851 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.89238 134.8
[M+Na]+ 277.87432 137.6
[M-H]- 253.87782 130.0
[M+NH4]+ 272.91892 151.5
[M+K]+ 293.84826 141.7
[M+H-H2O]+ 237.88236 126.1
[M+HCOO]- 299.88330 148.2
[M+CH3COO]- 313.89895 177.4
[M+Na-2H]- 275.85977 125.1
[M]+ 254.88455 133.9
[M]- 254.88565 133.9
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.