CID 16218076

871125-83-6

Structural Information

Molecular Formula

C₁₅H₁₇BClNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)12-7-8-18-13-9-10(17)5-6-11(12)13/h5-9H,1-4H3

InChIKey

GZDUYRAAWRRVEY-UHFFFAOYSA-N

Compound name

7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 289.1041 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]+	290.111376	161.6
[M+Na]+	312.093318	173.4
[M-H]-	288.096824	169.9
[M+NH4]+	307.137923	181.6
[M+K]+	328.067258	170.6
[M+H-H2O]+	272.101360	155.6
[M+HCOO]-	334.102301	175.7
[M+CH3COO]-	348.117951	175.1
[M+Na-2H]-	310.078766	167.4
[M]+	289.10355142	166.9
[M]-	289.10464858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe