CID 134163165

3-(2-bromo-1-fluoroethyl)oxetane

Structural Information

Molecular Formula
C5H8BrFO
SMILES
C1C(CO1)C(CBr)F
InChI
InChI=1S/C5H8BrFO/c6-1-5(7)4-2-8-3-4/h4-5H,1-3H2
InChIKey
KRDBIJYNCZJBAZ-UHFFFAOYSA-N
Compound name
3-(2-bromo-1-fluoroethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.97426 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98154 122.5
[M+Na]+ 204.96348 131.7
[M-H]- 180.96698 127.9
[M+NH4]+ 200.00808 138.6
[M+K]+ 220.93742 126.6
[M+H-H2O]+ 164.97152 118.1
[M+HCOO]- 226.97246 140.3
[M+CH3COO]- 240.98811 181.9
[M+Na-2H]- 202.94893 130.6
[M]+ 181.97371 146.9
[M]- 181.97481 146.9
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.