CID 46738917

(2-chloro-3-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H8BClO3
SMILES
B(C1=C(C(=CC=C1)OC)Cl)(O)O
InChI
InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChIKey
ZDWONVAXOXYOJK-UHFFFAOYSA-N
Compound name
(2-chloro-3-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

186.0255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032776 132.0
[M+Na]+ 209.014718 141.4
[M-H]- 185.018224 133.7
[M+NH4]+ 204.059323 151.9
[M+K]+ 224.988658 138.2
[M+H-H2O]+ 169.022760 128.3
[M+HCOO]- 231.023701 149.3
[M+CH3COO]- 245.039351 175.6
[M+Na-2H]- 207.000166 137.1
[M]+ 186.02495142 134.3
[M]- 186.02604858 134.3
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