CID 16728860

Schembl10268390

Structural Information

Molecular Formula

C₁₁H₉BO₂

SMILES

B1(C2=CC3=CC=CC=C3C=C2CO1)O

InChI

InChI=1S/C11H9BO2/c13-12-11-6-9-4-2-1-3-8(9)5-10(11)7-14-12/h1-6,13H,7H2

InChIKey

OLUXOYGKFKHHGB-UHFFFAOYSA-N

Compound name

1-hydroxy-3H-benzo[f][2,1]benzoxaborole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 184.06956 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]+	185.07684	133.4
[M+Na]+	207.05878	143.0
[M-H]-	183.06228	138.8
[M+NH4]+	202.10338	155.6
[M+K]+	223.03272	140.3
[M+H-H2O]+	167.06682	128.6
[M+HCOO]-	229.06776	154.3
[M+CH3COO]-	243.08341	147.8
[M+Na-2H]-	205.04423	142.0
[M]+	184.06901	133.8
[M]-	184.07011	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe