CID 44129706

944129-07-1

Structural Information

Molecular Formula

C₇H₇BClFO₃

SMILES

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

InChI

InChI=1S/C7H7BClFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3

InChIKey

GDJCQSNQOHRAGY-UHFFFAOYSA-N

Compound name

(4-chloro-2-fluoro-3-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 277
Patents: 204.01608 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]+	205.02336	135.6
[M+Na]+	227.00530	147.8
[M+NH4]+	222.04990	142.9
[M+K]+	242.97924	143.0
[M-H]-	203.00880	134.9
[M+Na-2H]-	224.99075	140.5
[M]+	204.01553	137.2
[M]-	204.01663	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe