CID 16217770

849062-26-6

Structural Information

Molecular Formula
C13H11BCl2O3
SMILES
B(C1=CC(=C(C=C1)OCC2=CC(=CC=C2)Cl)Cl)(O)O
InChI
InChI=1S/C13H11BCl2O3/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
HGXKMYLFVPMNFR-UHFFFAOYSA-N
Compound name
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

296.01782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02510 157.7
[M+Na]+ 319.00704 167.1
[M-H]- 295.01054 161.7
[M+NH4]+ 314.05164 173.4
[M+K]+ 334.98098 160.9
[M+H-H2O]+ 279.01508 152.9
[M+HCOO]- 341.01602 169.4
[M+CH3COO]- 355.03167 195.1
[M+Na-2H]- 316.99249 160.9
[M]+ 296.01727 161.6
[M]- 296.01837 161.6
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