CID 49835701

Potassium (3-bromo-5-methoxyphenyl)trifluoroboranuide

Structural Information

Molecular Formula
C7H6BBrF3O
SMILES
[B-](C1=CC(=CC(=C1)Br)OC)(F)(F)F
InChI
InChI=1S/C7H6BBrF3O/c1-13-7-3-5(8(10,11)12)2-6(9)4-7/h2-4H,1H3/q-1
InChIKey
RAKQIOCISDASDL-UHFFFAOYSA-N
Compound name
(3-bromo-5-methoxyphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.96472 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.97200 143.7
[M+Na]+ 275.95394 156.6
[M-H]- 251.95744 145.3
[M+NH4]+ 270.99854 164.3
[M+K]+ 291.92788 145.5
[M+H-H2O]+ 235.96198 144.4
[M+HCOO]- 297.96292 161.2
[M+CH3COO]- 311.97857 188.0
[M+Na-2H]- 273.93939 149.7
[M]+ 252.96417 158.0
[M]- 252.96527 158.0
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.