CID 50878572

212837-49-5

Structural Information

Molecular Formula

C₉H₁₁BF₂O₃

SMILES

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

InChI

InChI=1S/C9H11BF2O3/c1-2-5-15-7-4-3-6(10(13)14)8(11)9(7)12/h3-4,13-14H,2,5H2,1H3

InChIKey

CWSUICOAENAGCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 216.07693 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]+	217.08421	146.5
[M+Na]+	239.06615	156.2
[M+NH4]+	234.11075	152.1
[M+K]+	255.04009	151.7
[M-H]-	215.06965	144.0
[M+Na-2H]-	237.05160	149.5
[M]+	216.07638	146.8
[M]-	216.07748	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe