CID 54157843

1184298-27-8

Structural Information

Molecular Formula
C7H8BBrO2
SMILES
B(C1=C(C(=CC=C1)Br)C)(O)O
InChI
InChI=1S/C7H8BBrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3
InChIKey
OMIGTINRSKSQNS-UHFFFAOYSA-N
Compound name
(3-bromo-2-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

213.98007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.987346 135.9
[M+Na]+ 236.969288 147.4
[M-H]- 212.972794 140.1
[M+NH4]+ 232.013893 157.2
[M+K]+ 252.943228 136.4
[M+H-H2O]+ 196.977330 136.7
[M+HCOO]- 258.978271 154.8
[M+CH3COO]- 272.993921 180.4
[M+Na-2H]- 234.954736 142.1
[M]+ 213.97952142 153.2
[M]- 213.98061858 153.2
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

patents stripe