CID 1488672

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
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

literature stripe

Patent stripe

patents stripe