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

1
Patents

162.98586 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.993136 128.2
[M+Na]+ 185.975078 139.3
[M-H]- 161.978584 131.4
[M+NH4]+ 181.019683 151.3
[M+K]+ 201.949018 136.5
[M+H-H2O]+ 145.983120 123.6
[M+HCOO]- 207.984061 143.9
[M+CH3COO]- 221.999711 173.0
[M+Na-2H]- 183.960526 131.3
[M]+ 162.98531142 133.6
[M]- 162.98640858 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

patents stripe