CID 23005350

1028748-08-4

Structural Information

Molecular Formula

C₁₀H₁₃BO₃

SMILES

B(C1=CC2=C(C=C1)OC(C2)(C)C)(O)O

InChI

InChI=1S/C10H13BO3/c1-10(2)6-7-5-8(11(12)13)3-4-9(7)14-10/h3-5,12-13H,6H2,1-2H3

InChIKey

APZZJRJOSLSLLR-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 192.09578 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]+	193.10306	139.0
[M+Na]+	215.08500	147.7
[M-H]-	191.08850	142.1
[M+NH4]+	210.12960	161.2
[M+K]+	231.05894	146.2
[M+H-H2O]+	175.09304	135.2
[M+HCOO]-	237.09398	157.9
[M+CH3COO]-	251.10963	178.1
[M+Na-2H]-	213.07045	144.8
[M]+	192.09523	139.4
[M]-	192.09633	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe