CID 12239381

4-chloro-3-methyl-2-oxo-2,3-dihydro-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H4ClNO2S
SMILES
CN1C(=C(SC1=O)C=O)Cl
InChI
InChI=1S/C5H4ClNO2S/c1-7-4(6)3(2-8)10-5(7)9/h2H,1H3
InChIKey
UZEXESAVNCYSNF-UHFFFAOYSA-N
Compound name
4-chloro-3-methyl-2-oxo-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

176.96513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.972406 129.1
[M+Na]+ 199.954348 142.3
[M-H]- 175.957854 133.1
[M+NH4]+ 194.998953 152.0
[M+K]+ 215.928288 138.6
[M+H-H2O]+ 159.962390 125.1
[M+HCOO]- 221.963331 145.3
[M+CH3COO]- 235.978981 175.5
[M+Na-2H]- 197.939796 130.9
[M]+ 176.96458142 135.3
[M]- 176.96567858 135.3
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