CID 3841607

4'-bromo-4-biphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C12H10BBrO2
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)(O)O
InChI
InChI=1S/C12H10BBrO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
InChIKey
HQAGDFJHKPSZHT-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

275.99573 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00301 152.6
[M+Na]+ 298.98495 162.9
[M-H]- 274.98845 159.4
[M+NH4]+ 294.02955 171.0
[M+K]+ 314.95889 151.0
[M+H-H2O]+ 258.99299 152.4
[M+HCOO]- 320.99393 171.3
[M+CH3COO]- 335.00958 190.5
[M+Na-2H]- 296.97040 158.5
[M]+ 275.99518 169.3
[M]- 275.99628 169.3
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

patents stripe