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 129.9
[M+Na]+ 196.03518 137.8
[M-H]- 172.03868 127.1
[M+NH4]+ 191.07978 147.4
[M+K]+ 212.00912 135.6
[M+H-H2O]+ 156.04322 122.3
[M+HCOO]- 218.04416 147.2
[M+CH3COO]- 232.05981 174.5
[M+Na-2H]- 194.02063 134.0
[M]+ 173.04541 125.4
[M]- 173.04651 125.4
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