CID 16217494

3-bromo-2-ethoxy-5-methylphenylboronic acid

Structural Information

Molecular Formula
C9H12BBrO3
SMILES
B(C1=CC(=CC(=C1OCC)Br)C)(O)O
InChI
InChI=1S/C9H12BBrO3/c1-3-14-9-7(10(12)13)4-6(2)5-8(9)11/h4-5,12-13H,3H2,1-2H3
InChIKey
BTBLZNZUELXCOT-UHFFFAOYSA-N
Compound name
(3-bromo-2-ethoxy-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

258.0063 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01358 147.2
[M+Na]+ 280.99552 149.9
[M+NH4]+ 276.04012 151.0
[M+K]+ 296.96946 151.0
[M-H]- 256.99902 146.5
[M+Na-2H]- 278.98097 149.0
[M]+ 258.00575 146.1
[M]- 258.00685 146.1
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