CID 21352340

1056475-86-5

Structural Information

Molecular Formula

C₈H₁₀BClO₂

SMILES

B(C1=CC(=C(C(=C1)C)Cl)C)(O)O

InChI

InChI=1S/C8H10BClO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,11-12H,1-2H3

InChIKey

BDAZHAUVPSQIKL-UHFFFAOYSA-N

Compound name

(4-chloro-3,5-dimethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 184.04623 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]+	185.05351	134.4
[M+Na]+	207.03545	148.1
[M+NH4]+	202.08005	143.1
[M+K]+	223.00939	142.3
[M-H]-	183.03895	135.8
[M+Na-2H]-	205.02090	140.4
[M]+	184.04568	137.1
[M]-	184.04678	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe