CID 25067272

170981-41-6

Structural Information

Molecular Formula

C₇H₇BF₂O₃

SMILES

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

InChI

InChI=1S/C7H7BF2O3/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3,11-12H,1H3

InChIKey

HIWYFMBSFSTYGU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 188.04562 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]+	189.05290	137.6
[M+Na]+	211.03484	147.8
[M+NH4]+	206.07944	143.6
[M+K]+	227.00878	143.7
[M-H]-	187.03834	135.2
[M+Na-2H]-	209.02029	141.2
[M]+	188.04507	138.0
[M]-	188.04617	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe