CID 2737168

Ethyl 2,2-dibromo-2-fluoroacetate

Structural Information

Molecular Formula
C4H5Br2FO2
SMILES
CCOC(=O)C(F)(Br)Br
InChI
InChI=1S/C4H5Br2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey
COYRDMUQLSIAEX-UHFFFAOYSA-N
Compound name
ethyl 2,2-dibromo-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

84
Patents

261.86404 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.87132 136.1
[M+Na]+ 284.85326 147.3
[M-H]- 260.85676 139.5
[M+NH4]+ 279.89786 156.3
[M+K]+ 300.82720 132.5
[M+H-H2O]+ 244.86130 143.9
[M+HCOO]- 306.86224 150.3
[M+CH3COO]- 320.87789 197.0
[M+Na-2H]- 282.83871 143.3
[M]+ 261.86349 169.7
[M]- 261.86459 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe