CID 16217506

870718-04-0

Structural Information

Molecular Formula
C9H12BBrO3
SMILES
B(C1=C(C(=CC=C1)Br)OC(C)C)(O)O
InChI
InChI=1S/C9H12BBrO3/c1-6(2)14-9-7(10(12)13)4-3-5-8(9)11/h3-6,12-13H,1-2H3
InChIKey
FKHTXEIXJGJOCH-UHFFFAOYSA-N
Compound name
(3-bromo-2-propan-2-yloxyphenyl)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 148.2
[M+Na]+ 280.99552 158.3
[M-H]- 256.99902 152.0
[M+NH4]+ 276.04012 167.5
[M+K]+ 296.96946 147.8
[M+H-H2O]+ 241.00356 148.2
[M+HCOO]- 303.00450 165.6
[M+CH3COO]- 317.02015 188.8
[M+Na-2H]- 278.98097 152.0
[M]+ 258.00575 166.8
[M]- 258.00685 166.8
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

patents stripe