CID 2778295

396716-52-2

Structural Information

Molecular Formula
C5H2Br2F8O
SMILES
C(C(F)(F)F)OC(C(C(F)(F)F)(F)Br)(F)Br
InChI
InChI=1S/C5H2Br2F8O/c6-3(11,5(13,14)15)4(7,12)16-1-2(8,9)10/h1H2
InChIKey
VUXWJSADJYWRST-UHFFFAOYSA-N
Compound name
1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.83447 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.84175 177.6
[M+Na]+ 410.82369 189.4
[M-H]- 386.82719 174.3
[M+NH4]+ 405.86829 193.2
[M+K]+ 426.79763 172.8
[M+H-H2O]+ 370.83173 180.7
[M+HCOO]- 432.83267 182.2
[M+CH3COO]- 446.84832 213.8
[M+Na-2H]- 408.80914 181.3
[M]+ 387.83392 200.8
[M]- 387.83502 200.8
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.