CID 49835701

1189097-39-9

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 153.0
[M+Na]+ 275.95394 154.5
[M+NH4]+ 270.99854 155.7
[M+K]+ 291.92788 154.9
[M-H]- 251.95744 149.2
[M+Na-2H]- 273.93939 153.7
[M]+ 252.96417 150.7
[M]- 252.96527 150.7
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.