CID 21931486

837392-64-0

Structural Information

Molecular Formula

C₁₄H₁₈BNO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)C3

InChI

InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17)

InChIKey

BXFPTCYBFJOZHJ-UHFFFAOYSA-N

Compound name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 449
Patents: 259.13797 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]+	260.14525	154.5
[M+Na]+	282.12719	164.6
[M-H]-	258.13069	161.7
[M+NH4]+	277.17179	175.9
[M+K]+	298.10113	163.0
[M+H-H2O]+	242.13523	150.4
[M+HCOO]-	304.13617	171.9
[M+CH3COO]-	318.15182	167.9
[M+Na-2H]-	280.11264	158.1
[M]+	259.13742	156.0
[M]-	259.13852	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe