CID 56973197

1111096-25-3

Structural Information

Molecular Formula

C₁₀H₁₄BBrO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)Br

InChI

InChI=1S/C10H14BBrO3/c1-9(2)10(3,4)15-11(14-9)7-5-6-8(12)13-7/h5-6H,1-4H3

InChIKey

UQPIQWGQNJWGTE-UHFFFAOYSA-N

Compound name

2-(5-bromofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 272.02194 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]+	273.02922	149.3
[M+Na]+	295.01116	162.7
[M-H]-	271.01466	161.2
[M+NH4]+	290.05576	173.2
[M+K]+	310.98510	156.5
[M+H-H2O]+	255.01920	153.1
[M+HCOO]-	317.02014	168.9
[M+CH3COO]-	331.03579	192.5
[M+Na-2H]-	292.99661	156.7
[M]+	272.02139	172.5
[M]-	272.02249	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe