CID 44558128

(2-bromo-3-chloro-6-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H7BBrClO3
SMILES
B(C1=C(C=CC(=C1Br)Cl)OC)(O)O
InChI
InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(10)7(9)6(5)8(11)12/h2-3,11-12H,1H3
InChIKey
KZIQUUCAJBCHCK-UHFFFAOYSA-N
Compound name
(2-bromo-3-chloro-6-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.936 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94328 141.5
[M+Na]+ 286.92522 154.7
[M-H]- 262.92872 146.0
[M+NH4]+ 281.96982 162.0
[M+K]+ 302.89916 142.2
[M+H-H2O]+ 246.93326 143.1
[M+HCOO]- 308.93420 156.3
[M+CH3COO]- 322.94985 187.1
[M+Na-2H]- 284.91067 146.9
[M]+ 263.93545 162.4
[M]- 263.93655 162.4
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.