CID 71433101

1190875-60-5

Structural Information

Molecular Formula

C₇H₈BClO₃

SMILES

B(C1=CC(=C(C=C1)CO)Cl)(O)O

InChI

InChI=1S/C7H8BClO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,10-12H,4H2

InChIKey

GPDIABAAAASRGZ-UHFFFAOYSA-N

Compound name

[3-chloro-4-(hydroxymethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 186.0255 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]+	187.03278	133.6
[M+Na]+	209.01472	146.0
[M+NH4]+	204.05932	141.4
[M+K]+	224.98866	141.1
[M-H]-	185.01822	133.9
[M+Na-2H]-	207.00017	138.9
[M]+	186.02495	135.6
[M]-	186.02605	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe