CID 46738985

1072951-40-6

Structural Information

Molecular Formula

C₉H₁₀BFO₄

SMILES

B(C1=C(C=C(C=C1)F)C(=O)OCC)(O)O

InChI

InChI=1S/C9H10BFO4/c1-2-15-9(12)7-5-6(11)3-4-8(7)10(13)14/h3-5,13-14H,2H2,1H3

InChIKey

VSELXAYSUUQLOU-UHFFFAOYSA-N

Compound name

(2-ethoxycarbonyl-4-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 212.06561 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]+	213.07289	144.1
[M+Na]+	235.05483	153.9
[M+NH4]+	230.09943	149.7
[M+K]+	251.02877	150.4
[M-H]-	211.05833	142.1
[M+Na-2H]-	233.04028	147.4
[M]+	212.06506	144.5
[M]-	212.06616	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe