CID 44558134

957034-55-8

Structural Information

Molecular Formula
C7H5BBrF3O3
SMILES
B(C1=C(C=CC(=C1)OC(F)(F)F)Br)(O)O
InChI
InChI=1S/C7H5BBrF3O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChIKey
QSBIMKBCXNIDTI-UHFFFAOYSA-N
Compound name
[2-bromo-5-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.94672 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.