CID 3775186

4-bromo-2,5-dimethylphenylboronic acid

Structural Information

Molecular Formula
C8H10BBrO2
SMILES
B(C1=CC(=C(C=C1C)Br)C)(O)O
InChI
InChI=1S/C8H10BBrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,11-12H,1-2H3
InChIKey
FUVZURQKCDUKIR-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

227.99573 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00301 139.7
[M+Na]+ 250.98495 151.6
[M-H]- 226.98845 144.1
[M+NH4]+ 246.02955 160.7
[M+K]+ 266.95889 140.4
[M+H-H2O]+ 210.99299 140.5
[M+HCOO]- 272.99393 158.3
[M+CH3COO]- 287.00958 184.3
[M+Na-2H]- 248.97040 144.7
[M]+ 227.99518 157.7
[M]- 227.99628 157.7
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