CID 46736815

1072951-56-4

Structural Information

Molecular Formula

C₇H₅BBrF₃O₃

SMILES

B(C1=C(C=CC(=C1)Br)OC(F)(F)F)(O)O

InChI

InChI=1S/C7H5BBrF3O3/c9-4-1-2-6(15-7(10,11)12)5(3-4)8(13)14/h1-3,13-14H

InChIKey

GLPYFDWQKJBUGP-UHFFFAOYSA-N

Compound name

[5-bromo-2-(trifluoromethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 283.94672 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.95400	159.2
[M+Na]+	306.93594	159.1
[M+NH4]+	301.98054	160.6
[M+K]+	322.90988	160.7
[M-H]-	282.93944	153.9
[M+Na-2H]-	304.92139	158.6
[M]+	283.94617	156.3
[M]-	283.94727	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe