CID 86652212

3,4-dichloro-1,2-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C4HCl2NOS
SMILES
C(=O)C1=C(C(=NS1)Cl)Cl
InChI
InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-7-4(3)6/h1H
InChIKey
YEGARLICWYWEGA-UHFFFAOYSA-N
Compound name
3,4-dichloro-1,2-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

180.91559 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.922866 129.2
[M+Na]+ 203.904808 141.8
[M-H]- 179.908314 132.3
[M+NH4]+ 198.949413 151.9
[M+K]+ 219.878748 137.3
[M+H-H2O]+ 163.912850 125.6
[M+HCOO]- 225.913791 140.0
[M+CH3COO]- 239.929441 175.1
[M+Na-2H]- 201.890256 131.2
[M]+ 180.91504142 134.4
[M]- 180.91613858 134.4
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