CID 29939729

5-chlorothiazole-2-ethanone

Structural Information

Molecular Formula
C5H4ClNOS
SMILES
CC(=O)C1=NC=C(S1)Cl
InChI
InChI=1S/C5H4ClNOS/c1-3(8)5-7-2-4(6)9-5/h2H,1H3
InChIKey
UKLGUUBFTAJPJP-UHFFFAOYSA-N
Compound name
1-(5-chloro-1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

160.97021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.97749 127.7
[M+Na]+ 183.95943 138.7
[M-H]- 159.96293 131.1
[M+NH4]+ 179.00403 150.7
[M+K]+ 199.93337 135.7
[M+H-H2O]+ 143.96747 123.2
[M+HCOO]- 205.96841 142.5
[M+CH3COO]- 219.98406 172.9
[M+Na-2H]- 181.94488 129.7
[M]+ 160.96966 131.8
[M]- 160.97076 131.8
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