CID 43186897

Ethyl 4-(2-bromophenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C12H11BrO4
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C12H11BrO4/c1-2-17-12(16)11(15)7-10(14)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKey
SCEZOPORRBNIEH-UHFFFAOYSA-N
Compound name
ethyl 4-(2-bromophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

297.98407 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.991346 155.8
[M+Na]+ 320.973288 165.7
[M-H]- 296.976794 161.8
[M+NH4]+ 316.017893 174.4
[M+K]+ 336.947228 155.7
[M+H-H2O]+ 280.981330 155.2
[M+HCOO]- 342.982271 175.3
[M+CH3COO]- 356.997921 198.3
[M+Na-2H]- 318.958736 159.2
[M]+ 297.98352142 177.1
[M]- 297.98461858 177.1
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