CID 18525723

868755-79-7

Structural Information

Molecular Formula

C₁₆H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=CO3

InChI

InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,1-4H3

InChIKey

PUCSCLCOEROOCP-UHFFFAOYSA-N

Compound name

2-[4-(furan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 270.14273 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]+	271.15001	156.4
[M+Na]+	293.13195	166.1
[M-H]-	269.13545	169.2
[M+NH4]+	288.17655	176.7
[M+K]+	309.10589	166.7
[M+H-H2O]+	253.13999	152.5
[M+HCOO]-	315.14093	178.0
[M+CH3COO]-	329.15658	171.1
[M+Na-2H]-	291.11740	161.3
[M]+	270.14218	161.0
[M]-	270.14328	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe