CID 139026490

5-bromo-4,4,5,5-tetrafluoropentan-2-one

Structural Information

Molecular Formula
C5H5BrF4O
SMILES
CC(=O)CC(C(F)(F)Br)(F)F
InChI
InChI=1S/C5H5BrF4O/c1-3(11)2-4(7,8)5(6,9)10/h2H2,1H3
InChIKey
DSIHQHPEQQJYOU-UHFFFAOYSA-N
Compound name
5-bromo-4,4,5,5-tetrafluoropentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.94598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95326 142.5
[M+Na]+ 258.93520 154.6
[M-H]- 234.93870 141.1
[M+NH4]+ 253.97980 163.7
[M+K]+ 274.90914 144.0
[M+H-H2O]+ 218.94324 140.9
[M+HCOO]- 280.94418 156.5
[M+CH3COO]- 294.95983 188.2
[M+Na-2H]- 256.92065 148.3
[M]+ 235.94543 155.7
[M]- 235.94653 155.7
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.