CID 11052411

(2e)-4-bromo-1,1,1-trifluorobut-2-ene

Structural Information

Molecular Formula
C4H4BrF3
SMILES
C(/C=C/C(F)(F)F)Br
InChI
InChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1-2H,3H2/b2-1+
InChIKey
AFLONCGUFNMHMB-OWOJBTEDSA-N
Compound name
(E)-4-bromo-1,1,1-trifluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

187.94485 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95213 130.9
[M+Na]+ 210.93407 143.4
[M-H]- 186.93757 130.7
[M+NH4]+ 205.97867 154.2
[M+K]+ 226.90801 132.4
[M+H-H2O]+ 170.94211 130.2
[M+HCOO]- 232.94305 148.5
[M+CH3COO]- 246.95870 178.6
[M+Na-2H]- 208.91952 138.6
[M]+ 187.94430 144.9
[M]- 187.94540 144.9
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