CID 23005335

603122-82-3

Structural Information

Molecular Formula

C₈H₈BClO₄

SMILES

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

InChI

InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3

InChIKey

DJOMWLVGTUQULT-UHFFFAOYSA-N

Compound name

(3-chloro-4-methoxycarbonylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 214.02042 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]+	215.02770	139.9
[M+Na]+	237.00964	151.8
[M+NH4]+	232.05424	146.9
[M+K]+	252.98358	147.7
[M-H]-	213.01314	139.6
[M+Na-2H]-	234.99509	144.6
[M]+	214.01987	141.6
[M]-	214.02097	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe