CID 49835768

Potassium 3-bromo-5-chlorophenyltrifluoroborate

Structural Information

Molecular Formula
C6H3BBrClF3
SMILES
[B-](C1=CC(=CC(=C1)Br)Cl)(F)(F)F
InChI
InChI=1S/C6H3BBrClF3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H/q-1
InChIKey
CKWLZEVKVRNVHP-UHFFFAOYSA-N
Compound name
(3-bromo-5-chlorophenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9152 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.92248 140.9
[M+Na]+ 279.90442 155.1
[M-H]- 255.90792 142.5
[M+NH4]+ 274.94902 162.2
[M+K]+ 295.87836 141.8
[M+H-H2O]+ 239.91246 142.7
[M+HCOO]- 301.91340 154.2
[M+CH3COO]- 315.92905 186.9
[M+Na-2H]- 277.88987 147.0
[M]+ 256.91465 155.4
[M]- 256.91575 155.4
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.