CID 134128535

(2-bromo-3-methylphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

213.98007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98735 135.9
[M+Na]+ 236.96929 147.4
[M-H]- 212.97279 140.1
[M+NH4]+ 232.01389 157.2
[M+K]+ 252.94323 136.4
[M+H-H2O]+ 196.97733 136.7
[M+HCOO]- 258.97827 154.8
[M+CH3COO]- 272.99392 180.4
[M+Na-2H]- 234.95474 142.1
[M]+ 213.97952 153.2
[M]- 213.98062 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