CID 44558134

2-bromo-5-(trifluoromethoxy)benzeneboronic acid

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 150.8
[M+Na]+ 306.93594 162.6
[M-H]- 282.93944 151.2
[M+NH4]+ 301.98054 169.1
[M+K]+ 322.90988 151.1
[M+H-H2O]+ 266.94398 148.9
[M+HCOO]- 328.94492 165.3
[M+CH3COO]- 342.96057 189.8
[M+Na-2H]- 304.92139 155.5
[M]+ 283.94617 165.3
[M]- 283.94727 165.3
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.