CID 165995447

[2-(difluoromethyl)-5-methylphenyl]boronic acid

Structural Information

Molecular Formula
C8H9BF2O2
SMILES
B(C1=C(C=CC(=C1)C)C(F)F)(O)O
InChI
InChI=1S/C8H9BF2O2/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4,8,12-13H,1H3
InChIKey
YRMMJKGQESHZOY-UHFFFAOYSA-N
Compound name
[2-(difluoromethyl)-5-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07364 139.1
[M+Na]+ 209.05558 148.8
[M+NH4]+ 204.10018 145.3
[M+K]+ 225.02952 144.6
[M-H]- 185.05908 136.9
[M+Na-2H]- 207.04103 142.7
[M]+ 186.06581 139.5
[M]- 186.06691 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.