CID 29004764

3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane

Structural Information

Molecular Formula
C5H7BrF4O
SMILES
C(CBr)OCC(C(F)F)(F)F
InChI
InChI=1S/C5H7BrF4O/c6-1-2-11-3-5(9,10)4(7)8/h4H,1-3H2
InChIKey
JQDZIQKCZXIGEI-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-1,1,2,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.96164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96892 144.2
[M+Na]+ 260.95086 155.5
[M-H]- 236.95436 142.4
[M+NH4]+ 255.99546 165.2
[M+K]+ 276.92480 145.1
[M+H-H2O]+ 220.95890 141.9
[M+HCOO]- 282.95984 159.5
[M+CH3COO]- 296.97549 188.7
[M+Na-2H]- 258.93631 149.2
[M]+ 237.96109 158.6
[M]- 237.96219 158.6
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.