CID 10856974

5-bromo-2-fluorophenylboronic acid

Structural Information

Molecular Formula
C6H5BBrFO2
SMILES
B(C1=C(C=CC(=C1)Br)F)(O)O
InChI
InChI=1S/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChIKey
IGBDPRKNAFOOGY-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

217.955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96228 137.3
[M+Na]+ 240.94422 139.7
[M+NH4]+ 235.98882 141.3
[M+K]+ 256.91816 140.8
[M-H]- 216.94772 135.7
[M+Na-2H]- 238.92967 139.6
[M]+ 217.95445 135.8
[M]- 217.95555 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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