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

1264
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 123.1
[M+Na]+ 184.91842 136.0
[M-H]- 160.92192 123.2
[M+NH4]+ 179.96302 147.4
[M+K]+ 200.89236 126.1
[M+H-H2O]+ 144.92646 122.7
[M+HCOO]- 206.92740 141.2
[M+CH3COO]- 220.94305 174.5
[M+Na-2H]- 182.90387 131.8
[M]+ 161.92865 137.1
[M]- 161.92975 137.1
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