CID 165488005

Tert-butyl2-bromo-4-fluorobutanoate

Structural Information

Molecular Formula
C8H14BrFO2
SMILES
CC(C)(C)OC(=O)C(CCF)Br
InChI
InChI=1S/C8H14BrFO2/c1-8(2,3)12-7(11)6(9)4-5-10/h6H,4-5H2,1-3H3
InChIKey
VAAYLNYRWPJLKK-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-4-fluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01611 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02339 148.1
[M+Na]+ 263.00533 158.4
[M-H]- 239.00883 149.9
[M+NH4]+ 258.04993 169.5
[M+K]+ 278.97927 148.8
[M+H-H2O]+ 223.01337 148.1
[M+HCOO]- 285.01431 165.1
[M+CH3COO]- 299.02996 189.7
[M+Na-2H]- 260.99078 152.7
[M]+ 240.01556 167.4
[M]- 240.01666 167.4
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.