CID 2737158

2-bromo-2,3,3,3-tetrafluoropropionic acid ethyl ester

Structural Information

Molecular Formula
C5H5BrF4O2
SMILES
CCOC(=O)C(C(F)(F)F)(F)Br
InChI
InChI=1S/C5H5BrF4O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey
UFRGKZCBWHOBAP-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2,3,3,3-tetrafluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

251.9409 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94818 145.4
[M+Na]+ 274.93012 157.5
[M-H]- 250.93362 144.0
[M+NH4]+ 269.97472 166.1
[M+K]+ 290.90406 147.4
[M+H-H2O]+ 234.93816 143.7
[M+HCOO]- 296.93910 159.7
[M+CH3COO]- 310.95475 188.8
[M+Na-2H]- 272.91557 151.4
[M]+ 251.94035 159.8
[M]- 251.94145 159.8
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