CID 66223256

5-iodo-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C4H2INOS
SMILES
C1=C(SC(=N1)C=O)I
InChI
InChI=1S/C4H2INOS/c5-3-1-6-4(2-7)8-3/h1-2H
InChIKey
SMIRJKYJGSAUNO-UHFFFAOYSA-N
Compound name
5-iodo-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.89018 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.89746 128.6
[M+Na]+ 261.87940 132.4
[M-H]- 237.88290 125.1
[M+NH4]+ 256.92400 146.9
[M+K]+ 277.85334 136.5
[M+H-H2O]+ 221.88744 119.9
[M+HCOO]- 283.88838 144.4
[M+CH3COO]- 297.90403 177.3
[M+Na-2H]- 259.86485 120.5
[M]+ 238.88963 128.8
[M]- 238.89073 128.8
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