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]+ 233.99863 146.7
[M+Na]+ 255.98057 156.2
[M-H]- 231.98407 149.8
[M+NH4]+ 251.02517 166.6
[M+K]+ 271.95451 153.3
[M+H-H2O]+ 215.98861 141.7
[M+HCOO]- 277.98955 160.3
[M+CH3COO]- 292.00520 185.0
[M+Na-2H]- 253.96602 146.5
[M]+ 232.99080 153.5
[M]- 232.99190 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.