CID 16217318

480445-38-3

Structural Information

Molecular Formula
C6H4BBrF3
SMILES
[B-](C1=CC=CC=C1Br)(F)(F)F
InChI
InChI=1S/C6H4BBrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H/q-1
InChIKey
BADAICVFNZBPNU-UHFFFAOYSA-N
Compound name
(2-bromophenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.95415 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.96143 145.5
[M+Na]+ 245.94337 147.2
[M+NH4]+ 240.98797 148.7
[M+K]+ 261.91731 147.4
[M-H]- 221.94687 142.1
[M+Na-2H]- 243.92882 147.1
[M]+ 222.95360 143.4
[M]- 222.95470 143.4
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.