CID 83157294

4-chloro-2-ethoxy-1,3-thiazole

Structural Information

Molecular Formula
C5H6ClNOS
SMILES
CCOC1=NC(=CS1)Cl
InChI
InChI=1S/C5H6ClNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKey
CZZGXKYJIZNMRK-UHFFFAOYSA-N
Compound name
4-chloro-2-ethoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.98586 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.99314 128.2
[M+Na]+ 185.97508 139.3
[M-H]- 161.97858 131.4
[M+NH4]+ 181.01968 151.3
[M+K]+ 201.94902 136.5
[M+H-H2O]+ 145.98312 123.6
[M+HCOO]- 207.98406 143.9
[M+CH3COO]- 221.99971 173.0
[M+Na-2H]- 183.96053 131.3
[M]+ 162.98531 133.6
[M]- 162.98641 133.6
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.