CID 9989569

5-(chloromethyl)-3-methoxy-1,2-thiazole

Structural Information

Molecular Formula
C5H6ClNOS
SMILES
COC1=NSC(=C1)CCl
InChI
InChI=1S/C5H6ClNOS/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3
InChIKey
WOJXWXZQQOQLPP-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-methoxy-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.98586 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.99314 129.7
[M+Na]+ 185.97508 142.3
[M+NH4]+ 181.01968 139.4
[M+K]+ 201.94902 135.4
[M-H]- 161.97858 131.2
[M+Na-2H]- 183.96053 135.3
[M]+ 162.98531 132.6
[M]- 162.98641 132.6
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