CID 18541710

214360-81-3

Structural Information

Molecular Formula

C₁₅H₁₉BO₃

SMILES

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

InChI

InChI=1S/C15H19BO3/c1-14(2)15(3,4)19-16(18-14)11-6-7-12-10(9-11)5-8-13(12)17/h6-7,9H,5,8H2,1-4H3

InChIKey

CKYFZKMPRIVFKW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 258.14273 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]+	259.150006	153.8
[M+Na]+	281.131948	164.0
[M-H]-	257.135454	163.6
[M+NH4]+	276.176553	177.3
[M+K]+	297.105888	163.0
[M+H-H2O]+	241.139990	150.5
[M+HCOO]-	303.140931	173.7
[M+CH3COO]-	317.156581	195.6
[M+Na-2H]-	279.117396	157.7
[M]+	258.14218142	156.9
[M]-	258.14327858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe