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]+ 177.972406 131.2
[M+Na]+ 199.954348 141.6
[M-H]- 175.957854 133.1
[M+NH4]+ 194.998953 152.7
[M+K]+ 215.928288 138.1
[M+H-H2O]+ 159.962390 126.8
[M+HCOO]- 221.963331 144.7
[M+CH3COO]- 235.978981 172.2
[M+Na-2H]- 197.939796 132.8
[M]+ 176.96458142 134.8
[M]- 176.96567858 134.8
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

No patent data available for this compound.