CID 67898

2-bromo-1,1,1-trifluoroethane

Structural Information

Molecular Formula
C2H2BrF3
SMILES
C(C(F)(F)F)Br
InChI
InChI=1S/C2H2BrF3/c3-1-2(4,5)6/h1H2
InChIKey
TZNJHEHAYZJBHR-UHFFFAOYSA-N
Compound name
2-bromo-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1045
Patents

161.9292 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.93648 135.0
[M+Na]+ 184.91842 135.5
[M+NH4]+ 179.96302 138.3
[M+K]+ 200.89236 135.7
[M-H]- 160.92192 130.0
[M+Na-2H]- 182.90387 135.2
[M]+ 161.92865 132.4
[M]- 161.92975 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe