CID 20029291

5-bromo-1,1,1,2,2,3,3-heptafluoropentane

Structural Information

Molecular Formula
C5H4BrF7
SMILES
C(CBr)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H4BrF7/c6-2-1-3(7,8)4(9,10)5(11,12)13/h1-2H2
InChIKey
GFUYTQGIFLALGN-UHFFFAOYSA-N
Compound name
5-bromo-1,1,1,2,2,3,3-heptafluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

275.93845 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.94573 154.1
[M+Na]+ 298.92767 166.6
[M-H]- 274.93117 149.2
[M+NH4]+ 293.97227 173.5
[M+K]+ 314.90161 155.0
[M+H-H2O]+ 258.93571 150.2
[M+HCOO]- 320.93665 164.0
[M+CH3COO]- 334.95230 194.9
[M+Na-2H]- 296.91312 159.4
[M]+ 275.93790 162.2
[M]- 275.93900 162.2
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