CID 11845944

174672-06-1

Structural Information

Molecular Formula

C₇H₆BClO₂

SMILES

B1(C2=C(CO1)C=C(C=C2)Cl)O

InChI

InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2

InChIKey

HMAFTPZYFJFEHK-UHFFFAOYSA-N

Compound name

5-chloro-1-hydroxy-3H-2,1-benzoxaborole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 298
Patents: 168.01494 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]+	169.02222	127.1
[M+Na]+	191.00416	140.9
[M+NH4]+	186.04876	137.3
[M+K]+	206.97810	136.4
[M-H]-	167.00766	130.6
[M+Na-2H]-	188.98961	132.8
[M]+	168.01439	130.4
[M]-	168.01549	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe