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: 42
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]+	175.092476	133.9
[M+Na]+	197.074418	140.7
[M-H]-	173.077924	135.7
[M+NH4]+	192.119023	153.9
[M+K]+	213.048358	137.6
[M+H-H2O]+	157.082460	128.7
[M+HCOO]-	219.083401	152.9
[M+CH3COO]-	233.099051	175.4
[M+Na-2H]-	195.059866	140.8
[M]+	174.08465142	130.8
[M]-	174.08574858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe