CID 44118779

957035-17-5

Structural Information

Molecular Formula

C₇H₇BCl₂O₂

SMILES

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

InChI

InChI=1S/C7H7BCl2O2/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,11-12H,1H3

InChIKey

FQMLZXAQSIOVFD-UHFFFAOYSA-N

Compound name

(3,4-dichloro-2-methylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 203.99161 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]+	204.99889	135.7
[M+Na]+	226.98083	149.9
[M+NH4]+	222.02543	144.4
[M+K]+	242.95477	143.7
[M-H]-	202.98433	136.9
[M+Na-2H]-	224.96628	141.8
[M]+	203.99106	138.6
[M]-	203.99216	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe