CID 580349

5-bromo-1,1,1-trifluoropentane

Structural Information

Molecular Formula
C5H8BrF3
SMILES
C(CCBr)CC(F)(F)F
InChI
InChI=1S/C5H8BrF3/c6-4-2-1-3-5(7,8)9/h1-4H2
InChIKey
BEQKYEJRVRVZNZ-UHFFFAOYSA-N
Compound name
5-bromo-1,1,1-trifluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

203.97615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98343 137.4
[M+Na]+ 226.96537 149.1
[M-H]- 202.96887 136.9
[M+NH4]+ 222.00997 160.1
[M+K]+ 242.93931 138.4
[M+H-H2O]+ 186.97341 136.3
[M+HCOO]- 248.97435 154.4
[M+CH3COO]- 262.99000 183.0
[M+Na-2H]- 224.95082 144.4
[M]+ 203.97560 152.4
[M]- 203.97670 152.4
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