CID 3064017

101932-20-1

Structural Information

Molecular Formula
C8H6Br2F6O2
SMILES
C1CC(C(=O)C1C(C(F)(F)F)(C(F)(F)F)O)(Br)Br
InChI
InChI=1S/C8H6Br2F6O2/c9-5(10)2-1-3(4(5)17)6(18,7(11,12)13)8(14,15)16/h3,18H,1-2H2
InChIKey
RYDKWHUVPFZGPU-UHFFFAOYSA-N
Compound name
2,2-dibromo-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.86386 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.87114 180.9
[M+Na]+ 428.85308 192.5
[M-H]- 404.85658 180.9
[M+NH4]+ 423.89768 198.7
[M+K]+ 444.82702 175.9
[M+H-H2O]+ 388.86112 186.8
[M+HCOO]- 450.86206 186.5
[M+CH3COO]- 464.87771 212.8
[M+Na-2H]- 426.83853 183.3
[M]+ 405.86331 205.4
[M]- 405.86441 205.4
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.