CID 75525665

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

Structural Information

Molecular Formula
C5H6BrF5O
SMILES
C(CBr)OCC(C(F)(F)F)(F)F
InChI
InChI=1S/C5H6BrF5O/c6-1-2-12-3-4(7,8)5(9,10)11/h1-3H2
InChIKey
HGBADQYTORWLND-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-1,1,1,2,2-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.95222 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.95950 148.5
[M+Na]+ 278.94144 160.6
[M-H]- 254.94494 145.7
[M+NH4]+ 273.98604 169.0
[M+K]+ 294.91538 149.8
[M+H-H2O]+ 238.94948 145.8
[M+HCOO]- 300.95042 162.2
[M+CH3COO]- 314.96607 190.5
[M+Na-2H]- 276.92689 154.7
[M]+ 255.95167 161.6
[M]- 255.95277 161.6
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.