CID 2762526

Diisopropyl (bromomethyl)boronate

Structural Information

Molecular Formula

C₇H₁₆BBrO₂

SMILES

B(CBr)(OC(C)C)OC(C)C

InChI

InChI=1S/C7H16BBrO2/c1-6(2)10-8(5-9)11-7(3)4/h6-7H,5H2,1-4H3

InChIKey

FNHYYZNZIWONBQ-UHFFFAOYSA-N

Compound name

bromomethyl-di(propan-2-yloxy)borane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 222.04266 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]+	223.04994	144.7
[M+Na]+	245.03188	153.9
[M-H]-	221.03538	147.5
[M+NH4]+	240.07648	166.6
[M+K]+	261.00582	145.5
[M+H-H2O]+	205.03992	144.9
[M+HCOO]-	267.04086	163.0
[M+CH3COO]-	281.05651	189.3
[M+Na-2H]-	243.01733	148.2
[M]+	222.04211	165.7
[M]-	222.04321	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe