CID 66333

4-bromo-1,1,2-trifluoro-1-butene

Structural Information

Molecular Formula
C4H4BrF3
SMILES
C(CBr)C(=C(F)F)F
InChI
InChI=1S/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2
InChIKey
GQCQMFYIFUDARF-UHFFFAOYSA-N
Compound name
4-bromo-1,1,2-trifluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1012
Patents

187.94485 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95213 131.2
[M+Na]+ 210.93407 142.6
[M-H]- 186.93757 130.7
[M+NH4]+ 205.97867 154.1
[M+K]+ 226.90801 132.1
[M+H-H2O]+ 170.94211 129.9
[M+HCOO]- 232.94305 148.3
[M+CH3COO]- 246.95870 180.5
[M+Na-2H]- 208.91952 135.9
[M]+ 187.94430 144.4
[M]- 187.94540 144.4
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