CID 12571350

4-bromo-1,1,1,2,2-pentafluorobutane

Structural Information

Molecular Formula
C4H4BrF5
SMILES
C(CBr)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H4BrF5/c5-2-1-3(6,7)4(8,9)10/h1-2H2
InChIKey
YAPVBRYHZPNRIW-UHFFFAOYSA-N
Compound name
4-bromo-1,1,1,2,2-pentafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

225.94165 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94893 141.0
[M+Na]+ 248.93087 153.5
[M-H]- 224.93437 138.4
[M+NH4]+ 243.97547 162.6
[M+K]+ 264.90481 142.6
[M+H-H2O]+ 208.93891 138.7
[M+HCOO]- 270.93985 154.8
[M+CH3COO]- 284.95550 186.0
[M+Na-2H]- 246.91632 147.6
[M]+ 225.94110 152.3
[M]- 225.94220 152.3
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

patents stripe