CID 550385

2-bromo-2-(trifluoromethyl)hexafluoropropane

Structural Information

Molecular Formula
C4BrF9
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)Br
InChI
InChI=1S/C4BrF9/c5-1(2(6,7)8,3(9,10)11)4(12,13)14
InChIKey
JJSXUJUWEOANEA-UHFFFAOYSA-N
Compound name
2-bromo-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.90396 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.91124 158.0
[M+Na]+ 320.89318 171.3
[M-H]- 296.89668 151.4
[M+NH4]+ 315.93778 176.3
[M+K]+ 336.86712 159.8
[M+H-H2O]+ 280.90122 153.0
[M+HCOO]- 342.90216 164.8
[M+CH3COO]- 356.91781 197.2
[M+Na-2H]- 318.87863 163.1
[M]+ 297.90341 161.8
[M]- 297.90451 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe