CID 58579411

1173897-83-0

Structural Information

Molecular Formula
C4HCl2NOS
SMILES
C(=O)C1=NC(=C(S1)Cl)Cl
InChI
InChI=1S/C4HCl2NOS/c5-3-4(6)9-2(1-8)7-3/h1H
InChIKey
RJGXURZAPLEJGL-UHFFFAOYSA-N
Compound name
4,5-dichloro-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.91559 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.92287 129.2
[M+Na]+ 203.90481 141.8
[M-H]- 179.90831 132.3
[M+NH4]+ 198.94941 151.9
[M+K]+ 219.87875 137.3
[M+H-H2O]+ 163.91285 125.6
[M+HCOO]- 225.91379 140.0
[M+CH3COO]- 239.92944 175.1
[M+Na-2H]- 201.89026 131.2
[M]+ 180.91504 134.4
[M]- 180.91614 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