CID 59109918

5-bromo-1,1,1,2,2-pentafluoropentane

Structural Information

Molecular Formula
C5H6BrF5
SMILES
C(CC(C(F)(F)F)(F)F)CBr
InChI
InChI=1S/C5H6BrF5/c6-3-1-2-4(7,8)5(9,10)11/h1-3H2
InChIKey
VGHJIMUCRCZUOV-UHFFFAOYSA-N
Compound name
5-bromo-1,1,1,2,2-pentafluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.9573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96458 145.7
[M+Na]+ 262.94652 157.9
[M-H]- 238.95002 143.0
[M+NH4]+ 257.99112 166.9
[M+K]+ 278.92046 146.7
[M+H-H2O]+ 222.95456 143.3
[M+HCOO]- 284.95550 159.2
[M+CH3COO]- 298.97115 188.8
[M+Na-2H]- 260.93197 151.8
[M]+ 239.95675 157.4
[M]- 239.95785 157.4
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

patents stripe