CID 154577700

Ethyl 2-(3-bromopyridin-2-yl)-2-oxoacetate

Structural Information

Molecular Formula
C9H8BrNO3
SMILES
CCOC(=O)C(=O)C1=C(C=CC=N1)Br
InChI
InChI=1S/C9H8BrNO3/c1-2-14-9(13)8(12)7-6(10)4-3-5-11-7/h3-5H,2H2,1H3
InChIKey
WQSIDMGVSWTJEX-UHFFFAOYSA-N
Compound name
ethyl 2-(3-bromo-2-pyridinyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96875 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.976026 143.5
[M+Na]+ 279.957968 154.8
[M-H]- 255.961474 148.6
[M+NH4]+ 275.002573 162.7
[M+K]+ 295.931908 144.9
[M+H-H2O]+ 239.966010 142.8
[M+HCOO]- 301.966951 163.4
[M+CH3COO]- 315.982601 190.4
[M+Na-2H]- 277.943416 149.8
[M]+ 256.96820142 164.3
[M]- 256.96929858 164.3
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

No patent data available for this compound.