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 144.5
[M+Na]+ 271.95902 156.6
[M-H]- 247.96252 145.7
[M+NH4]+ 267.00362 165.0
[M+K]+ 287.93296 144.3
[M+H-H2O]+ 231.96706 145.2
[M+HCOO]- 293.96800 161.7
[M+CH3COO]- 307.98365 186.5
[M+Na-2H]- 269.94447 150.6
[M]+ 248.96925 156.8
[M]- 248.97035 156.8
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.