CID 16218193

1072951-99-5

Structural Information

Molecular Formula

C₉H₁₁BBrFO₃

SMILES

B(C1=C(C=CC(=C1F)OC(C)C)Br)(O)O

InChI

InChI=1S/C9H11BBrFO3/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14/h3-5,13-14H,1-2H3

InChIKey

JIDCDBHYZFYNSO-UHFFFAOYSA-N

Compound name

(6-bromo-2-fluoro-3-propan-2-yloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 275.99686 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.00414	152.6
[M+Na]+	298.98608	154.1
[M+NH4]+	294.03068	155.6
[M+K]+	314.96002	155.8
[M-H]-	274.98958	150.3
[M+Na-2H]-	296.97153	153.2
[M]+	275.99631	150.8
[M]-	275.99741	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe