CID 2762526

137297-49-5

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: 35
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	140.8
[M+Na]+	245.03188	141.1
[M+NH4]+	240.07648	144.7
[M+K]+	261.00582	142.9
[M-H]-	221.03538	138.5
[M+Na-2H]-	243.01733	140.7
[M]+	222.04211	138.8
[M]-	222.04321	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe