CID 53363739

(4-fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

Structural Information

Molecular Formula

C₁₀H₁₄BFO₃

SMILES

B(C1=CC(=C(C=C1OC)F)C(C)C)(O)O

InChI

InChI=1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3

InChIKey

HMRRCUXJGOSJJA-UHFFFAOYSA-N

Compound name

(4-fluoro-2-methoxy-5-propan-2-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 212.102 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]+	213.10928	143.2
[M+Na]+	235.09122	151.2
[M-H]-	211.09472	143.5
[M+NH4]+	230.13582	161.2
[M+K]+	251.06516	149.4
[M+H-H2O]+	195.09926	137.2
[M+HCOO]-	257.10020	161.8
[M+CH3COO]-	271.11585	185.7
[M+Na-2H]-	233.07667	144.4
[M]+	212.10145	143.2
[M]-	212.10255	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe