CID 79599

4-bromophenylboronic acid

Structural Information

Molecular Formula
C6H6BBrO2
SMILES
B(C1=CC=C(C=C1)Br)(O)O
InChI
InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey
QBLFZIBJXUQVRF-UHFFFAOYSA-N
Compound name
(4-bromophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

8393
Patents

199.96442 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97170 132.0
[M+Na]+ 222.95364 143.1
[M-H]- 198.95714 136.1
[M+NH4]+ 217.99824 153.5
[M+K]+ 238.92758 132.2
[M+H-H2O]+ 182.96168 132.9
[M+HCOO]- 244.96262 151.3
[M+CH3COO]- 258.97827 176.5
[M+Na-2H]- 220.93909 139.4
[M]+ 199.96387 148.6
[M]- 199.96497 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe