CID 133636187

(5-chloro-2-methoxy-3-methylphenyl)boronic acid

Structural Information

Molecular Formula
C8H10BClO3
SMILES
B(C1=CC(=CC(=C1OC)C)Cl)(O)O
InChI
InChI=1S/C8H10BClO3/c1-5-3-6(10)4-7(9(11)12)8(5)13-2/h3-4,11-12H,1-2H3
InChIKey
XZAYHIUJKLQXJO-UHFFFAOYSA-N
Compound name
(5-chloro-2-methoxy-3-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.048426 136.1
[M+Na]+ 223.030368 146.0
[M-H]- 199.033874 138.0
[M+NH4]+ 218.074973 155.7
[M+K]+ 239.004308 142.6
[M+H-H2O]+ 183.038410 132.4
[M+HCOO]- 245.039351 153.0
[M+CH3COO]- 259.055001 179.8
[M+Na-2H]- 221.015816 139.9
[M]+ 200.04060142 139.2
[M]- 200.04169858 139.2
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.