CID 150841197

Refchem:892524

Structural Information

Molecular Formula
C7H12BrFO2
SMILES
CC(C)(C)OC(=O)C(CF)Br
InChI
InChI=1S/C7H12BrFO2/c1-7(2,3)11-6(10)5(8)4-9/h5H,4H2,1-3H3
InChIKey
KOAFYBKLXHCKIE-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-3-fluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00047 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00775 143.4
[M+Na]+ 248.98969 154.1
[M-H]- 224.99319 145.4
[M+NH4]+ 244.03429 165.3
[M+K]+ 264.96363 144.7
[M+H-H2O]+ 208.99773 143.6
[M+HCOO]- 270.99867 160.7
[M+CH3COO]- 285.01432 186.9
[M+Na-2H]- 246.97514 148.5
[M]+ 225.99992 162.3
[M]- 226.00102 162.3
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.