CID 18987810

4-bromomethylphenyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula

C₉H₁₀BBrO₂

SMILES

B1(OCCO1)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C9H10BBrO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4H,5-7H2

InChIKey

GNLXZUWZSBFRHM-UHFFFAOYSA-N

Compound name

2-[4-(bromomethyl)phenyl]-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 239.99573 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]+	241.00301	146.6
[M+Na]+	262.98495	157.1
[M-H]-	238.98845	156.7
[M+NH4]+	258.02955	166.9
[M+K]+	278.95889	149.3
[M+H-H2O]+	222.99299	147.2
[M+HCOO]-	284.99393	166.5
[M+CH3COO]-	299.00958	185.6
[M+Na-2H]-	260.97040	154.0
[M]+	239.99518	165.2
[M]-	239.99628	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe