CID 165737558

2803856-48-4

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
CC1=C(N=C(S1)CCl)C(=O)OC
InChI
InChI=1S/C7H8ClNO2S/c1-4-6(7(10)11-2)9-5(3-8)12-4/h3H2,1-2H3
InChIKey
NKCWMEZDHNNWIV-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)-5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.99643 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.003706 139.4
[M+Na]+ 227.985648 150.4
[M-H]- 203.989154 142.9
[M+NH4]+ 223.030253 160.9
[M+K]+ 243.959588 147.3
[M+H-H2O]+ 187.993690 134.8
[M+HCOO]- 249.994631 153.8
[M+CH3COO]- 264.010281 181.3
[M+Na-2H]- 225.971096 139.9
[M]+ 204.99588142 146.0
[M]- 204.99697858 146.0
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.