CID 66224112

Sodium 2-(5-chloro-1,3-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C5H4ClNO2S
SMILES
C1=C(SC(=N1)CC(=O)O)Cl
InChI
InChI=1S/C5H4ClNO2S/c6-3-2-7-4(10-3)1-5(8)9/h2H,1H2,(H,8,9)
InChIKey
QDYYCRCOIBLOCQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,3-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.96513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.97241 133.0
[M+Na]+ 199.95435 144.2
[M+NH4]+ 194.99895 141.3
[M+K]+ 215.92829 138.8
[M-H]- 175.95785 133.0
[M+Na-2H]- 197.93980 137.1
[M]+ 176.96458 135.1
[M]- 176.96568 135.1
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.