CID 16094233

(3,6-dichloro-2-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H7BCl2O3
SMILES
B(C1=C(C=CC(=C1OC)Cl)Cl)(O)O
InChI
InChI=1S/C7H7BCl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,11-12H,1H3
InChIKey
KNKVQNYPANWLOS-UHFFFAOYSA-N
Compound name
(3,6-dichloro-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98653 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99381 138.3
[M+Na]+ 242.97575 152.0
[M+NH4]+ 238.02035 146.5
[M+K]+ 258.94969 146.4
[M-H]- 218.97925 139.0
[M+Na-2H]- 240.96120 144.0
[M]+ 219.98598 141.0
[M]- 219.98708 141.0
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

No patent data available for this compound.