CID 16217909

836615-83-9

Structural Information

Molecular Formula

C₁₃H₁₀BF₃O₃

SMILES

B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2F)F)(O)O

InChI

InChI=1S/C13H10BF3O3/c15-9-4-2-1-3-8(9)7-20-11-6-5-10(16)12(13(11)17)14(18)19/h1-6,18-19H,7H2

InChIKey

FZRDUMLPMRLTOK-UHFFFAOYSA-N

Compound name

[2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 282.0675 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]+	283.074776	156.5
[M+Na]+	305.056718	165.7
[M-H]-	281.060224	157.4
[M+NH4]+	300.101323	171.3
[M+K]+	321.030658	161.1
[M+H-H2O]+	265.064760	147.1
[M+HCOO]-	327.065701	174.3
[M+CH3COO]-	341.081351	196.3
[M+Na-2H]-	303.042166	157.9
[M]+	282.06695142	153.8
[M]-	282.06804858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe