CID 3517812

2,3-difluoro-4-formylphenylboronic acid

Structural Information

Molecular Formula

C₇H₅BF₂O₃

SMILES

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

InChI

InChI=1S/C7H5BF2O3/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-3,12-13H

InChIKey

LZNNBOWURANFDS-UHFFFAOYSA-N

Compound name

(2,3-difluoro-4-formylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 90
Patents: 186.02998 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]+	187.03726	137.1
[M+Na]+	209.01920	147.3
[M+NH4]+	204.06380	142.8
[M+K]+	224.99314	143.1
[M-H]-	185.02270	134.4
[M+Na-2H]-	207.00465	140.5
[M]+	186.02943	137.4
[M]-	186.03053	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe