CID 137935417

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

Structural Information

Molecular Formula
C4HClINOS
SMILES
C(=O)C1=C(N=C(S1)I)Cl
InChI
InChI=1S/C4HClINOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKey
KMKUCWXIOLHPPQ-UHFFFAOYSA-N
Compound name
4-chloro-2-iodo-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.8512 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.85848 132.0
[M+Na]+ 295.84042 137.2
[M-H]- 271.84392 128.8
[M+NH4]+ 290.88502 150.0
[M+K]+ 311.81436 139.5
[M+H-H2O]+ 255.84846 124.2
[M+HCOO]- 317.84940 143.4
[M+CH3COO]- 331.86505 181.9
[M+Na-2H]- 293.82587 123.1
[M]+ 272.85065 134.1
[M]- 272.85175 134.1
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.