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

44
Patents

190.04129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04857 132.2
[M+Na]+ 213.03051 140.7
[M-H]- 189.03401 129.8
[M+NH4]+ 208.07511 150.6
[M+K]+ 229.00445 138.0
[M+H-H2O]+ 173.03855 124.7
[M+HCOO]- 235.03949 149.4
[M+CH3COO]- 249.05514 178.9
[M+Na-2H]- 211.01596 134.5
[M]+ 190.04074 126.8
[M]- 190.04184 126.8
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