CID 25053622

1041465-92-2

Structural Information

Molecular Formula
C8H6BBrF3
SMILES
[B-](/C=C/C1=CC=C(C=C1)Br)(F)(F)F
InChI
InChI=1S/C8H6BBrF3/c10-8-3-1-7(2-4-8)5-6-9(11,12)13/h1-6H/q-1/b6-5+
InChIKey
LKOBKEVEXLGJPH-AATRIKPKSA-N
Compound name
[(E)-2-(4-bromophenyl)ethenyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.97708 153.1
[M+Na]+ 271.95902 154.5
[M+NH4]+ 267.00362 155.9
[M+K]+ 287.93296 154.2
[M-H]- 247.96252 149.5
[M+Na-2H]- 269.94447 154.1
[M]+ 248.96925 150.8
[M]- 248.97035 150.8
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

No patent data available for this compound.