CID 89008484

(3-(difluoromethyl)-4-fluorophenyl)boronic acid

Structural Information

Molecular Formula
C7H6BF3O2
SMILES
B(C1=CC(=C(C=C1)F)C(F)F)(O)O
InChI
InChI=1S/C7H6BF3O2/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,7,12-13H
InChIKey
SZVBSEHYKANIRO-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-4-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

190.04129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04857 140.4
[M+Na]+ 213.03051 149.0
[M+NH4]+ 208.07511 145.7
[M+K]+ 229.00445 145.1
[M-H]- 189.03401 136.7
[M+Na-2H]- 211.01596 143.3
[M]+ 190.04074 140.1
[M]- 190.04184 140.1
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

patents stripe