CID 50987985

Ethyl 2-(5-bromo-2-methoxyphenyl)-2-oxoacetate

Structural Information

Molecular Formula
C11H11BrO4
SMILES
CCOC(=O)C(=O)C1=C(C=CC(=C1)Br)OC
InChI
InChI=1S/C11H11BrO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChIKey
YJDSUIYWZQWSST-UHFFFAOYSA-N
Compound name
ethyl 2-(5-bromo-2-methoxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.98407 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99135 150.6
[M+Na]+ 308.97329 153.0
[M+NH4]+ 304.01789 153.8
[M+K]+ 324.94723 154.4
[M-H]- 284.97679 149.6
[M+Na-2H]- 306.95874 152.6
[M]+ 285.98352 149.3
[M]- 285.98462 149.3
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