CID 72213913

[6-(difluoromethyl)pyridin-3-yl]boronic acid hydrochloride

Structural Information

Molecular Formula
C6H6BF2NO2
SMILES
B(C1=CN=C(C=C1)C(F)F)(O)O
InChI
InChI=1S/C6H6BF2NO2/c8-6(9)5-2-1-4(3-10-5)7(11)12/h1-3,6,11-12H
InChIKey
YYPFDJRXPYFRTQ-UHFFFAOYSA-N
Compound name
[6-(difluoromethyl)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

173.04596 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05324 133.6
[M+Na]+ 196.03518 143.1
[M+NH4]+ 191.07978 139.3
[M+K]+ 212.00912 139.4
[M-H]- 172.03868 130.5
[M+Na-2H]- 194.02063 137.6
[M]+ 173.04541 133.6
[M]- 173.04651 133.6
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