CID 16217769

870777-26-7

Structural Information

Molecular Formula
C13H11BCl2O3
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)Cl)(O)O
InChI
InChI=1S/C13H11BCl2O3/c15-11-4-2-1-3-9(11)8-19-13-6-5-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2
InChIKey
LWCZZSFOCSCENS-UHFFFAOYSA-N
Compound name
[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.01782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02510 160.9
[M+Na]+ 319.00704 176.5
[M+NH4]+ 314.05164 169.4
[M+K]+ 334.98098 168.7
[M-H]- 295.01054 164.3
[M+Na-2H]- 316.99249 169.1
[M]+ 296.01727 164.8
[M]- 296.01837 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