CID 2758820

250642-57-0

Structural Information

Molecular Formula
C11H11ClO3
SMILES
CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)C
InChI
InChI=1S/C11H11ClO3/c1-3-15-11(14)10(13)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3
InChIKey
ZQRICMRDLKNJBT-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chloro-3-methylphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.03967 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 144.0
[M+Na]+ 249.02889 153.3
[M-H]- 225.03239 148.2
[M+NH4]+ 244.07349 163.5
[M+K]+ 265.00283 150.3
[M+H-H2O]+ 209.03693 139.4
[M+HCOO]- 271.03787 162.6
[M+CH3COO]- 285.05352 188.8
[M+Na-2H]- 247.01434 147.1
[M]+ 226.03912 149.2
[M]- 226.04022 149.2
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

patents stripe