CID 66224115

Methyl (5-chloro-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
COC(=O)CC1=NC=C(S1)Cl
InChI
InChI=1S/C6H6ClNO2S/c1-10-6(9)2-5-8-3-4(7)11-5/h3H,2H2,1H3
InChIKey
NQSJGYHWWYGOAB-UHFFFAOYSA-N
Compound name
methyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.98077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98805 137.3
[M+Na]+ 213.96999 148.9
[M+NH4]+ 209.01459 145.8
[M+K]+ 229.94393 142.9
[M-H]- 189.97349 137.8
[M+Na-2H]- 211.95544 141.8
[M]+ 190.98022 139.7
[M]- 190.98132 139.7
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.