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]+ 298.99135 155.8
[M+Na]+ 320.97329 165.7
[M-H]- 296.97679 161.8
[M+NH4]+ 316.01789 174.4
[M+K]+ 336.94723 155.7
[M+H-H2O]+ 280.98133 155.2
[M+HCOO]- 342.98227 175.3
[M+CH3COO]- 356.99792 198.3
[M+Na-2H]- 318.95874 159.2
[M]+ 297.98352 177.1
[M]- 297.98462 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