CID 16217768

849062-25-5

Structural Information

Molecular Formula
C13H11BBrClO3
SMILES
B(C1=CC(=C(C=C1)OCC2=CC(=CC=C2)Br)Cl)(O)O
InChI
InChI=1S/C13H11BBrClO3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2
InChIKey
HKBRUUCYKMOURT-UHFFFAOYSA-N
Compound name
[4-[(3-bromophenyl)methoxy]-3-chlorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.96732 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.97460 164.4
[M+Na]+ 362.95654 169.6
[M+NH4]+ 358.00114 169.0
[M+K]+ 378.93048 168.6
[M-H]- 338.96004 166.1
[M+Na-2H]- 360.94199 168.9
[M]+ 339.96677 164.8
[M]- 339.96787 164.8
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