CID 22176457

521917-51-1

Structural Information

Molecular Formula

C₁₀H₁₁BO₂

SMILES

B(C1=CC2=CC=CC=C2CC1)(O)O

InChI

InChI=1S/C10H11BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7,12-13H,5-6H2

InChIKey

XPXMEYHPXJQPHD-UHFFFAOYSA-N

Compound name

3,4-dihydronaphthalen-2-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 174.0852 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]+	175.09248	133.9
[M+Na]+	197.07442	140.7
[M-H]-	173.07792	135.7
[M+NH4]+	192.11902	153.9
[M+K]+	213.04836	137.6
[M+H-H2O]+	157.08246	128.7
[M+HCOO]-	219.08340	152.9
[M+CH3COO]-	233.09905	175.4
[M+Na-2H]-	195.05987	140.8
[M]+	174.08465	130.8
[M]-	174.08575	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe