CID 57497344

1229584-22-8

Structural Information

Molecular Formula

C₆H₅BF₂O₃

SMILES

B(C1=CC(=C(C=C1F)O)F)(O)O

InChI

InChI=1S/C6H5BF2O3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,10-12H

InChIKey

BKSUWYUPEDFFDX-UHFFFAOYSA-N

Compound name

(2,5-difluoro-4-hydroxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 174.02998 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]+	175.03726	127.9
[M+Na]+	197.01920	137.5
[M-H]-	173.02270	125.9
[M+NH4]+	192.06380	146.7
[M+K]+	212.99314	134.7
[M+H-H2O]+	157.02724	121.8
[M+HCOO]-	219.02818	146.2
[M+CH3COO]-	233.04383	173.0
[M+Na-2H]-	195.00465	131.4
[M]+	174.02943	123.9
[M]-	174.03053	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe