CID 132351256

3-(1-bromo-2,2,2-trifluoroethyl)oxolane

Structural Information

Molecular Formula
C6H8BrF3O
SMILES
C1COCC1C(C(F)(F)F)Br
InChI
InChI=1S/C6H8BrF3O/c7-5(6(8,9)10)4-1-2-11-3-4/h4-5H,1-3H2
InChIKey
AOWRUPULQMDDAI-UHFFFAOYSA-N
Compound name
3-(1-bromo-2,2,2-trifluoroethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97105 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97833 147.4
[M+Na]+ 254.96027 157.7
[M-H]- 230.96377 150.1
[M+NH4]+ 250.00487 169.1
[M+K]+ 270.93421 148.8
[M+H-H2O]+ 214.96831 146.2
[M+HCOO]- 276.96925 162.1
[M+CH3COO]- 290.98490 184.4
[M+Na-2H]- 252.94572 151.9
[M]+ 231.97050 159.9
[M]- 231.97160 159.9
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.