CID 11356935

476004-81-6

Structural Information

Molecular Formula

C₁₄H₁₈BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-9-10-7-5-6-8-11(10)16-12/h5-9,16H,1-4H3

InChIKey

IAQBURSQTCOSBP-UHFFFAOYSA-N

Compound name

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 243.14307 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]+	244.15035	150.3
[M+Na]+	266.13229	163.6
[M+NH4]+	261.17689	161.9
[M+K]+	282.10623	157.7
[M-H]-	242.13579	155.9
[M+Na-2H]-	264.11774	158.2
[M]+	243.14252	154.2
[M]-	243.14362	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe