CID 165810284

Ethyl 3-(2-chloro-1,3-thiazol-4-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C8H8ClNO3S
SMILES
CCOC(=O)CC(=O)C1=CSC(=N1)Cl
InChI
InChI=1S/C8H8ClNO3S/c1-2-13-7(12)3-6(11)5-4-14-8(9)10-5/h4H,2-3H2,1H3
InChIKey
PVEMBMJLLYDMAU-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chloro-1,3-thiazol-4-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.99135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.998626 146.7
[M+Na]+ 255.980568 156.2
[M-H]- 231.984074 149.8
[M+NH4]+ 251.025173 166.6
[M+K]+ 271.954508 153.3
[M+H-H2O]+ 215.988610 141.7
[M+HCOO]- 277.989551 160.3
[M+CH3COO]- 292.005201 185.0
[M+Na-2H]- 253.966016 146.5
[M]+ 232.99080142 153.5
[M]- 232.99189858 153.5
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.