CID 72226070

4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

Molecular Formula
C12H16BBrO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)Br
InChI
InChI=1S/C12H16BBrO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(15)5-6-10(9)14/h5-7,15H,1-4H3
InChIKey
TUBPPVYFPJVQCT-UHFFFAOYSA-N
Compound name
4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04488 155.3
[M+Na]+ 321.02682 168.2
[M-H]- 297.03032 165.4
[M+NH4]+ 316.07142 177.4
[M+K]+ 337.00076 159.9
[M+H-H2O]+ 281.03486 157.6
[M+HCOO]- 343.03580 173.0
[M+CH3COO]- 357.05145 196.3
[M+Na-2H]- 319.01227 161.9
[M]+ 298.03705 176.8
[M]- 298.03815 176.8
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.